3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide

C18H28N2O — CID 119532226

IUPAC3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
SMILESCCCN(C(=O)CC(C)(C)c1ccccc1)C1CCNC1
InChIInChI=1S/C18H28N2O/c1-4-12-20(16-10-11-19-14-16)17(21)13-18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3
InChIKeyNAOALUOTDQOGLO-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.95
Rot. Bonds6

About 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide

3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide (PubChem CID 119532226) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide.

Molecular Properties

Compound Name3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
PubChem CID119532226
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
SMILESCCCN(C(=O)CC(C)(C)c1ccccc1)C1CCNC1
InChIInChI=1S/C18H28N2O/c1-4-12-20(16-10-11-19-14-16)17(21)13-18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3
InChIKeyNAOALUOTDQOGLO-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
CID 60806254
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
3,3-dimethyl-5-oxo-5-[piperidin-4-yl(propyl)amino]pentanoic acid
CID 62935444
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824337
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
The IUPAC name of 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide (CID 119532226) is 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide.
What is the SMILES notation for 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
The canonical SMILES for 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide is CCCN(C(=O)CC(C)(C)c1ccccc1)C1CCNC1.
What is the InChIKey of 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
The InChIKey is NAOALUOTDQOGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-12-20(16-10-11-19-14-16)17(21)13-18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3.
What are the key properties of 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide?
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide has a molecular weight of 288.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide is sourced from PubChem (CID 119532226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).