(2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide

C17H26ClN3O2 — CID 95347154

IUPAC(2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide
SMILESCC(C)C[C@](C)(NCC(=O)N[C@H](C)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C17H26ClN3O2/c1-11(2)9-17(4,16(19)23)20-10-15(22)21-12(3)13-5-7-14(18)8-6-13/h5-8,11-12,20H,9-10H2,1-4H3,(H2,19,23)(H,21,22)/t12-,17+/m1/s1
InChIKeyILLFXJJVIGUSHS-PXAZEXFGSA-N
MW339.87 g/mol
LogP2.40
Rot. Bonds8

About (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide

(2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide (PubChem CID 95347154) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide
PubChem CID95347154
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide
SMILESCC(C)C[C@](C)(NCC(=O)N[C@H](C)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C17H26ClN3O2/c1-11(2)9-17(4,16(19)23)20-10-15(22)21-12(3)13-5-7-14(18)8-6-13/h5-8,11-12,20H,9-10H2,1-4H3,(H2,19,23)(H,21,22)/t12-,17+/m1/s1
InChIKeyILLFXJJVIGUSHS-PXAZEXFGSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide with MolForge

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Related Compounds

(2R)-2-[[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide
CID 95347153
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
5-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81355516
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
N-[1-(4-chlorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648459
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
5-amino-N-[1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 82011641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide?
The IUPAC name of (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide (CID 95347154) is (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide is CC(C)C[C@](C)(NCC(=O)N[C@H](C)c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide?
The InChIKey is ILLFXJJVIGUSHS-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-11(2)9-17(4,16(19)23)20-10-15(22)21-12(3)13-5-7-14(18)8-6-13/h5-8,11-12,20H,9-10H2,1-4H3,(H2,19,23)(H,21,22)/t12-,17+/m1/s1.
What are the key properties of (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide?
(2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide has a molecular weight of 339.87 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-2,4-dimethylpentanamide is sourced from PubChem (CID 95347154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).