2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C22H33N3O2 — CID 86911651

IUPAC2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCC(C)c1ccc(CN(CC(=O)NCCCN2CCCC2=O)C2CC2)cc1
InChIInChI=1S/C22H33N3O2/c1-17(2)19-8-6-18(7-9-19)15-25(20-10-11-20)16-21(26)23-12-4-14-24-13-3-5-22(24)27/h6-9,17,20H,3-5,10-16H2,1-2H3,(H,23,26)
InChIKeyVQOKJLCPNTUEAV-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.90
Rot. Bonds10

About 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 86911651) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID86911651
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCC(C)c1ccc(CN(CC(=O)NCCCN2CCCC2=O)C2CC2)cc1
InChIInChI=1S/C22H33N3O2/c1-17(2)19-8-6-18(7-9-19)15-25(20-10-11-20)16-21(26)23-12-4-14-24-13-3-5-22(24)27/h6-9,17,20H,3-5,10-16H2,1-2H3,(H,23,26)
InChIKeyVQOKJLCPNTUEAV-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014913
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87013297
2-[1-(3-chlorophenyl)ethyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014789
2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87014138
2-(diethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977577
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8915748
2-[methyl-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]amino]propanoic acid;hydrochloride
CID 119913641
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87012759
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30483528
2-(4-fluoro-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014857
2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate
CID 11202593

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 86911651) is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is CC(C)c1ccc(CN(CC(=O)NCCCN2CCCC2=O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is VQOKJLCPNTUEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17(2)19-8-6-18(7-9-19)15-25(20-10-11-20)16-21(26)23-12-4-14-24-13-3-5-22(24)27/h6-9,17,20H,3-5,10-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 371.53 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 86911651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).