2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C20H29N3O2 — CID 34412666

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(C)CCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)C1CC1
InChIInChI=1S/C20H29N3O2/c1-15(2)10-12-22(17-8-9-17)14-19(24)21-16-5-3-6-18(13-16)23-11-4-7-20(23)25/h3,5-6,13,15,17H,4,7-12,14H2,1-2H3,(H,21,24)
InChIKeySQSYXIUPLKHBJZ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.26
Rot. Bonds8

About 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 34412666) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID34412666
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(C)CCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)C1CC1
InChIInChI=1S/C20H29N3O2/c1-15(2)10-12-22(17-8-9-17)14-19(24)21-16-5-3-6-18(13-16)23-11-4-7-20(23)25/h3,5-6,13,15,17H,4,7-12,14H2,1-2H3,(H,21,24)
InChIKeySQSYXIUPLKHBJZ-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylcyclohexyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51286691
2-[2-methylpropyl(propan-2-yl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36963101
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36680308
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41380914
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31716980
2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41334479
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46424968
2-(3,4-dimethoxy-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 47078142
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 34412666) is 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CC(C)CCN(CC(=O)Nc1cccc(N2CCCC2=O)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is SQSYXIUPLKHBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(2)10-12-22(17-8-9-17)14-19(24)21-16-5-3-6-18(13-16)23-11-4-7-20(23)25/h3,5-6,13,15,17H,4,7-12,14H2,1-2H3,(H,21,24).
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 34412666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).