1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide

C22H27N3O3 — CID 154875610

IUPAC1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide
SMILESC=CC(=O)NCC1(c2ccccc2)CC(NC(=O)C2CC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C22H27N3O3/c1-2-19(26)23-14-22(16-6-4-3-5-7-16)11-17(12-22)24-21(28)15-10-20(27)25(13-15)18-8-9-18/h2-7,15,17-18H,1,8-14H2,(H,23,26)(H,24,28)
InChIKeyCXLCYSBEVDCFGO-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.52
Rot. Bonds7

About 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide

1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide (PubChem CID 154875610) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide
PubChem CID154875610
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide
SMILESC=CC(=O)NCC1(c2ccccc2)CC(NC(=O)C2CC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C22H27N3O3/c1-2-19(26)23-14-22(16-6-4-3-5-7-16)11-17(12-22)24-21(28)15-10-20(27)25(13-15)18-8-9-18/h2-7,15,17-18H,1,8-14H2,(H,23,26)(H,24,28)
InChIKeyCXLCYSBEVDCFGO-UHFFFAOYSA-N
XLogP1.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 96506763
3-phenyl-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]triazole-4-carboxamide
CID 167902241
N-[[3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-1-phenylcyclobutyl]methyl]prop-2-enamide
CID 154875611
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-[[1-(1-ethyl-6-oxopiperidine-3-carbonyl)-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
CID 154875467
(3S)-1-(2-methylpropyl)-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 51936826
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
1-(2-ethylphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 134037352

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide (CID 154875610) is 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide is C=CC(=O)NCC1(c2ccccc2)CC(NC(=O)C2CC(=O)N(C3CC3)C2)C1.
What is the InChIKey of 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide?
The InChIKey is CXLCYSBEVDCFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-19(26)23-14-22(16-6-4-3-5-7-16)11-17(12-22)24-21(28)15-10-20(27)25(13-15)18-8-9-18/h2-7,15,17-18H,1,8-14H2,(H,23,26)(H,24,28).
What are the key properties of 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide?
1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-N-[3-phenyl-3-[(prop-2-enoylamino)methyl]cyclobutyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 154875610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).