N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide

C20H27N3O3 — CID 55749883

IUPACN-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C20H27N3O3/c24-18(8-4-12-21-20(26)16-10-11-16)22-17(15-6-2-1-3-7-15)14-23-13-5-9-19(23)25/h1-3,6-7,16-17H,4-5,8-14H2,(H,21,26)(H,22,24)
InChIKeyGHYCRDQRVQNCGH-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.77
Rot. Bonds9

About N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide

N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide (PubChem CID 55749883) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
PubChem CID55749883
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
SMILESO=C(CCCNC(=O)C1CC1)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C20H27N3O3/c24-18(8-4-12-21-20(26)16-10-11-16)22-17(15-6-2-1-3-7-15)14-23-13-5-9-19(23)25/h1-3,6-7,16-17H,4-5,8-14H2,(H,21,26)(H,22,24)
InChIKeyGHYCRDQRVQNCGH-UHFFFAOYSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.77
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-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[3-oxo-3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]propyl]furan-2-carboxamide
CID 55750164
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]piperidine-3-carboxamide;hydrochloride
CID 119287077
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87003255
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94198507
(2S,5R)-5-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]oxolane-2-carboxamide
CID 120787050
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119719350
3-[4-(cyclopropanecarbonylamino)butanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219157
methyl 2-[4-(cyclopropanecarbonylamino)butanoylamino]-2-phenylacetate
CID 60613351

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide (CID 55749883) is N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide is O=C(CCCNC(=O)C1CC1)NC(CN1CCCC1=O)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide?
The InChIKey is GHYCRDQRVQNCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(8-4-12-21-20(26)16-10-11-16)22-17(15-6-2-1-3-7-15)14-23-13-5-9-19(23)25/h1-3,6-7,16-17H,4-5,8-14H2,(H,21,26)(H,22,24).
What are the key properties of N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide?
N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide is sourced from PubChem (CID 55749883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).