4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide

C16H25N3O2 — CID 175917282

IUPAC4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CC(NCc2ccc(OC)cc2)CN1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-16(20)15-9-13(11-19-15)18-10-12-4-6-14(21-2)7-5-12/h4-7,13,15,18-19H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyWFDPMUFZBXPSSY-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.04
Rot. Bonds7

About 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide

4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide (PubChem CID 175917282) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide
PubChem CID175917282
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)C1CC(NCc2ccc(OC)cc2)CN1
InChIInChI=1S/C16H25N3O2/c1-3-8-17-16(20)15-9-13(11-19-15)18-10-12-4-6-14(21-2)7-5-12/h4-7,13,15,18-19H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyWFDPMUFZBXPSSY-UHFFFAOYSA-N
XLogP1.04
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 175917284
2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
CID 67392265
(3S,5S)-N-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolidin-3-amine
CID 175911514
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109131241
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
N-[2-(4-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107433442
2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
CID 43277091
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide (CID 175917282) is 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)C1CC(NCc2ccc(OC)cc2)CN1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is WFDPMUFZBXPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-8-17-16(20)15-9-13(11-19-15)18-10-12-4-6-14(21-2)7-5-12/h4-7,13,15,18-19H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide?
4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175917282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).