2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide

C16H24N2O — CID 94420232

IUPAC2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCCCN(C(=O)Cc1cccc(C)c1)[C@H]1CCNC1
InChIInChI=1S/C16H24N2O/c1-3-9-18(15-7-8-17-12-15)16(19)11-14-6-4-5-13(2)10-14/h4-6,10,15,17H,3,7-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyDWUBGSSOOKZBCT-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide

2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 94420232) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID94420232
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESCCCN(C(=O)Cc1cccc(C)c1)[C@H]1CCNC1
InChIInChI=1S/C16H24N2O/c1-3-9-18(15-7-8-17-12-15)16(19)11-14-6-4-5-13(2)10-14/h4-6,10,15,17H,3,7-9,11-12H2,1-2H3/t15-/m0/s1
InChIKeyDWUBGSSOOKZBCT-HNNXBMFYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
CID 66182884
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
CID 119531294
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532179
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 94420232) is 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide is CCCN(C(=O)Cc1cccc(C)c1)[C@H]1CCNC1.
What is the InChIKey of 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is DWUBGSSOOKZBCT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-9-18(15-7-8-17-12-15)16(19)11-14-6-4-5-13(2)10-14/h4-6,10,15,17H,3,7-9,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 94420232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).