N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide

C16H23N3O2 — CID 115571750

IUPACN-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
SMILESCc1ccc(NC(=O)CNCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13-4-6-14(7-5-13)18-15(20)12-17-9-8-16(21)19-10-2-3-11-19/h4-7,17H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyMSFXGNUAAAQOQK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.54
Rot. Bonds6

About N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide

N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide (PubChem CID 115571750) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
PubChem CID115571750
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
SMILESCc1ccc(NC(=O)CNCCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13-4-6-14(7-5-13)18-15(20)12-17-9-8-16(21)19-10-2-3-11-19/h4-7,17H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyMSFXGNUAAAQOQK-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778
N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 79394044
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 51362513
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
CID 119761543
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide (CID 115571750) is N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide is Cc1ccc(NC(=O)CNCCC(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide?
The InChIKey is MSFXGNUAAAQOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-4-6-14(7-5-13)18-15(20)12-17-9-8-16(21)19-10-2-3-11-19/h4-7,17H,2-3,8-12H2,1H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide?
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide is sourced from PubChem (CID 115571750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).