3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide

C15H23N3O — CID 122080526

IUPAC3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)N(C)C1CCNC1)C(N)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-11(14(16)12-6-4-3-5-7-12)15(19)18(2)13-8-9-17-10-13/h3-7,11,13-14,17H,8-10,16H2,1-2H3
InChIKeyRPTGUZYAPKYFQJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.14
Rot. Bonds4

About 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide

3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 122080526) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
PubChem CID122080526
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(C(=O)N(C)C1CCNC1)C(N)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-11(14(16)12-6-4-3-5-7-12)15(19)18(2)13-8-9-17-10-13/h3-7,11,13-14,17H,8-10,16H2,1-2H3
InChIKeyRPTGUZYAPKYFQJ-UHFFFAOYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 80548256
3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 119787279
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119551607
3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
CID 119893685
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556
2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552845
N-methyl-N-pyrrolidin-3-yl-2-thiophen-2-ylpropanamide
CID 119551706
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119551631
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide (CID 122080526) is 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide is CC(C(=O)N(C)C1CCNC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is RPTGUZYAPKYFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(14(16)12-6-4-3-5-7-12)15(19)18(2)13-8-9-17-10-13/h3-7,11,13-14,17H,8-10,16H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide?
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 122080526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).