3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide

C18H28N2O — CID 114793980

IUPAC3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
SMILESCCC(C)C(C(=O)NCCC1CCCN1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-14(2)17(15-8-5-4-6-9-15)18(21)20-13-11-16-10-7-12-19-16/h4-6,8-9,14,16-17,19H,3,7,10-13H2,1-2H3,(H,20,21)
InChIKeyJNEBJCBELGDFCG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.07
Rot. Bonds7

About 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide

3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide (PubChem CID 114793980) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide.

Molecular Properties

Compound Name3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
PubChem CID114793980
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
SMILESCCC(C)C(C(=O)NCCC1CCCN1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-3-14(2)17(15-8-5-4-6-9-15)18(21)20-13-11-16-10-7-12-19-16/h4-6,8-9,14,16-17,19H,3,7,10-13H2,1-2H3,(H,20,21)
InChIKeyJNEBJCBELGDFCG-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104971899
2-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955284
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
3-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]prop-2-ynamide
CID 104972166
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
2-phenoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]acetamide
CID 104971951
N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
N-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide?
The IUPAC name of 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide (CID 114793980) is 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide.
What is the SMILES notation for 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide?
The canonical SMILES for 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide is CCC(C)C(C(=O)NCCC1CCCN1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide?
The InChIKey is JNEBJCBELGDFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-14(2)17(15-8-5-4-6-9-15)18(21)20-13-11-16-10-7-12-19-16/h4-6,8-9,14,16-17,19H,3,7,10-13H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide?
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide is sourced from PubChem (CID 114793980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).