N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide

C17H24N2O2 — CID 37359459

IUPACN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-9-16(20)18-15-8-5-7-14(12-15)13-19-11-6-10-17(19)21/h5,7-8,12H,2-4,6,9-11,13H2,1H3,(H,18,20)
InChIKeyPNITXLAURYNBGD-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.33
Rot. Bonds7

About N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide

N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide (PubChem CID 37359459) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
PubChem CID37359459
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C17H24N2O2/c1-2-3-4-9-16(20)18-15-8-5-7-14(12-15)13-19-11-6-10-17(19)21/h5,7-8,12H,2-4,6,9-11,13H2,1H3,(H,18,20)
InChIKeyPNITXLAURYNBGD-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
1-[(2R)-heptan-2-yl]-3-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 94784827
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
N-(3-ethylphenyl)decanamide
CID 4053743
3-(3,4-dimethoxyphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360462
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide?
The IUPAC name of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide (CID 37359459) is N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide.
What is the SMILES notation for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide?
The canonical SMILES for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide?
The InChIKey is PNITXLAURYNBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-4-9-16(20)18-15-8-5-7-14(12-15)13-19-11-6-10-17(19)21/h5,7-8,12H,2-4,6,9-11,13H2,1H3,(H,18,20).
What are the key properties of N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide?
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide has a molecular weight of 288.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide is sourced from PubChem (CID 37359459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).