N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

C17H24N2O2 — CID 170418185

IUPACN-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1CCCC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(2)11-16(20)19-10-6-9-15(19)17(21)18-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)
InChIKeyQTJNFOBHWPAOMP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.34
Rot. Bonds5

About N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 170418185) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID170418185
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1CCCC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-13(2)11-16(20)19-10-6-9-15(19)17(21)18-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)
InChIKeyQTJNFOBHWPAOMP-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 10222332
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
(2S)-N-benzyl-1-[(2S)-2-(cyclopropanecarbonylamino)-4-methylpentanoyl]pyrrolidine-2-carboxamide
CID 53361810

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (CID 170418185) is N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is CC(C)CC(=O)N1CCCC1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is QTJNFOBHWPAOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)11-16(20)19-10-6-9-15(19)17(21)18-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 170418185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).