3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide

C17H26N2O — CID 62367590

IUPAC3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCc1ccccc1C)C1CCNC1
InChIInChI=1S/C17H26N2O/c1-3-12-19(16-10-11-18-13-16)17(20)9-8-15-7-5-4-6-14(15)2/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyUARWYKYSZQIZHY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds6

About 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide

3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 62367590) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID62367590
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCc1ccccc1C)C1CCNC1
InChIInChI=1S/C17H26N2O/c1-3-12-19(16-10-11-18-13-16)17(20)9-8-15-7-5-4-6-14(15)2/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyUARWYKYSZQIZHY-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
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-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
N-piperidin-4-yl-N-propyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119825481
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
3-(2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 126772645

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 62367590) is 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCc1ccccc1C)C1CCNC1.
What is the InChIKey of 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is UARWYKYSZQIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-12-19(16-10-11-18-13-16)17(20)9-8-15-7-5-4-6-14(15)2/h4-7,16,18H,3,8-13H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 62367590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).