2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide

C16H22N2O — CID 153395167

IUPAC2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)Cc2ccc(C3CC3)cc2)CN1
InChIInChI=1S/C16H22N2O/c1-11-8-15(10-17-11)18-16(19)9-12-2-4-13(5-3-12)14-6-7-14/h2-5,11,14-15,17H,6-10H2,1H3,(H,18,19)/t11-,15+/m0/s1
InChIKeyGSVDYXFWMVBKEE-XHDPSFHLSA-N
MW258.36 g/mol
LogP1.97
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide

2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide (PubChem CID 153395167) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide
PubChem CID153395167
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide
SMILESC[C@H]1C[C@@H](NC(=O)Cc2ccc(C3CC3)cc2)CN1
InChIInChI=1S/C16H22N2O/c1-11-8-15(10-17-11)18-16(19)9-12-2-4-13(5-3-12)14-6-7-14/h2-5,11,14-15,17H,6-10H2,1H3,(H,18,19)/t11-,15+/m0/s1
InChIKeyGSVDYXFWMVBKEE-XHDPSFHLSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
tert-butyl N-[3-[[2-(4-cyclopropylphenyl)acetyl]amino]azetidin-1-yl]carbamate
CID 153395185
2-[4-(difluoromethylsulfonyl)phenyl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601223
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
1-[(4-cyclopropylphenyl)methyl]-3-[(2S,6S)-2,6-dimethyloxan-4-yl]urea
CID 99828934
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide
CID 106995263
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide;hydrochloride
CID 120600805
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107021542
2-(4-cyclopropylphenyl)-N-[(1S,2S)-2-fluorocyclopentyl]acetamide
CID 164984454

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide (CID 153395167) is 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide is C[C@H]1C[C@@H](NC(=O)Cc2ccc(C3CC3)cc2)CN1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide?
The InChIKey is GSVDYXFWMVBKEE-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-8-15(10-17-11)18-16(19)9-12-2-4-13(5-3-12)14-6-7-14/h2-5,11,14-15,17H,6-10H2,1H3,(H,18,19)/t11-,15+/m0/s1.
What are the key properties of 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide?
2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide has a molecular weight of 258.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-[(3R,5S)-5-methylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 153395167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).