2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide

C17H25N3O3 — CID 119699423

IUPAC2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1
InChIInChI=1S/C17H25N3O3/c1-4-11(2)16(18)17(22)19-12-7-8-13(14(10-12)23-3)20-9-5-6-15(20)21/h7-8,10-11,16H,4-6,9,18H2,1-3H3,(H,19,22)
InChIKeyLCAJANOXAJCNBT-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.13
Rot. Bonds6

About 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide

2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide (PubChem CID 119699423) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
PubChem CID119699423
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1
InChIInChI=1S/C17H25N3O3/c1-4-11(2)16(18)17(22)19-12-7-8-13(14(10-12)23-3)20-9-5-6-15(20)21/h7-8,10-11,16H,4-6,9,18H2,1-3H3,(H,19,22)
InChIKeyLCAJANOXAJCNBT-UHFFFAOYSA-N
XLogP2.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
3-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119699391
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666903
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
N-(3-chlorophenyl)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 24614808
(2R)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-methylpropyl)propanamide
CID 41397283
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide (CID 119699423) is 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1.
What is the InChIKey of 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide?
The InChIKey is LCAJANOXAJCNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-11(2)16(18)17(22)19-12-7-8-13(14(10-12)23-3)20-9-5-6-15(20)21/h7-8,10-11,16H,4-6,9,18H2,1-3H3,(H,19,22).
What are the key properties of 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide?
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide has a molecular weight of 319.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 119699423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).