N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide

C14H26N2O3 — CID 97051425

IUPACN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
SMILESCC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(C)C1=O
InChIInChI=1S/C14H26N2O3/c1-10(2)9-11(3)19-8-6-13(17)15-12-5-7-16(4)14(12)18/h10-12H,5-9H2,1-4H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyDVNOGFQVSDRTMX-RYUDHWBXSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds7

About N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide

N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide (PubChem CID 97051425) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
PubChem CID97051425
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
SMILESCC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(C)C1=O
InChIInChI=1S/C14H26N2O3/c1-10(2)9-11(3)19-8-6-13(17)15-12-5-7-16(4)14(12)18/h10-12H,5-9H2,1-4H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyDVNOGFQVSDRTMX-RYUDHWBXSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-yloxypropanamide
CID 103920706
(2R)-2-amino-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106255828
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
CID 119453788
2-(butan-2-ylamino)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106256004
2-(2-aminoethoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 103810783
2-methoxy-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 103681220
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-4-phenylmethoxybutanamide
CID 95981025
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
(3S)-5-methyl-3-[[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]methyl]hexanoic acid
CID 106258173
2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
CID 131107119

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
The IUPAC name of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide (CID 97051425) is N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide.
What is the SMILES notation for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
The canonical SMILES for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide is CC(C)C[C@H](C)OCCC(=O)N[C@H]1CCN(C)C1=O.
What is the InChIKey of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
The InChIKey is DVNOGFQVSDRTMX-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-11(3)19-8-6-13(17)15-12-5-7-16(4)14(12)18/h10-12H,5-9H2,1-4H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide?
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide has a molecular weight of 270.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[(2S)-4-methylpentan-2-yl]oxypropanamide is sourced from PubChem (CID 97051425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).