(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide

C48H78N6O8 — CID 165022688

IUPAC(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide
SMILESCC(OC1CCCCC1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@@H](C#N)C[C@@H]1CCNC1=O.CC(OC1CCCCC1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O
InChIInChI=1S/2C24H39N3O4/c2*1-16(31-20-8-6-5-7-9-20)21(28)13-18(14-24(2,3)4)23(30)27-19(15-25)12-17-10-11-26-22(17)29/h2*16-20H,5-14H2,1-4H3,(H,26,29)(H,27,30)/t16?,17-,18-,19+;16?,17-,18-,19-/m00/s1
InChIKeyLKEIMEAPJMBMQV-LXXXPGHDSA-N
MW867.19 g/mol
LogP6.54
Rot. Bonds20

About (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide

(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide (PubChem CID 165022688) has the molecular formula C48H78N6O8 and a molecular weight of 867.19 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide
PubChem CID165022688
Molecular FormulaC48H78N6O8
Molecular Weight867.19 g/mol
Exact Mass866.59
IUPAC Name(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide
SMILESCC(OC1CCCCC1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@@H](C#N)C[C@@H]1CCNC1=O.CC(OC1CCCCC1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O
InChIInChI=1S/2C24H39N3O4/c2*1-16(31-20-8-6-5-7-9-20)21(28)13-18(14-24(2,3)4)23(30)27-19(15-25)12-17-10-11-26-22(17)29/h2*16-20H,5-14H2,1-4H3,(H,26,29)(H,27,30)/t16?,17-,18-,19+;16?,17-,18-,19-/m00/s1
InChIKeyLKEIMEAPJMBMQV-LXXXPGHDSA-N
XLogP6.54
TPSA216.58 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.19
LogP ≤ 56.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide with MolForge

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Related Compounds

N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 162396392
(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide
CID 163996013
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3,3-dimethyl-2-(methylamino)butanamide
CID 166975891
(2R)-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethylpentanamide
CID 163870441
(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
CID 163616314
[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 175458558
(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-7-methyl-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
CID 163727095
(2R)-2-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4,4-dimethylpentanamide
CID 167626525
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-6-methyl-1H-indole-2-carboxamide
CID 163283270
6-chloro-N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166749612
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-propan-2-yl-1H-indole-2-carboxamide
CID 163283262
N-[(1S)-1-cyano-2-(2-oxopiperidin-3-yl)ethyl]-2-[[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]-4,4-dimethylpentanamide
CID 175458093

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide?
The IUPAC name of (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide (CID 165022688) is (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide?
The canonical SMILES for (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide is CC(OC1CCCCC1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@@H](C#N)C[C@@H]1CCNC1=O.CC(OC1CCCCC1)C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O.
What is the InChIKey of (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide?
The InChIKey is LKEIMEAPJMBMQV-LXXXPGHDSA-N. The full InChI is InChI=1S/2C24H39N3O4/c2*1-16(31-20-8-6-5-7-9-20)21(28)13-18(14-24(2,3)4)23(30)27-19(15-25)12-17-10-11-26-22(17)29/h2*16-20H,5-14H2,1-4H3,(H,26,29)(H,27,30)/t16?,17-,18-,19+;16?,17-,18-,19-/m00/s1.
What are the key properties of (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide?
(2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide has a molecular weight of 867.19 g/mol, XLogP of 6.54, 20 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide;(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-5-cyclohexyloxy-2-(2,2-dimethylpropyl)-4-oxohexanamide is sourced from PubChem (CID 165022688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).