N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide

C16H24N2O3 — CID 113216584

IUPACN-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-16(2,17-15(19)18-9-5-6-10-18)12-7-8-13(20-3)14(11-12)21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,19)
InChIKeyFCPVLDLCZVZKOS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 113216584) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID113216584
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)N2CCCC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-16(2,17-15(19)18-9-5-6-10-18)12-7-8-13(20-3)14(11-12)21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,19)
InChIKeyFCPVLDLCZVZKOS-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 113216629
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460450
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
N-[2-(4-fluorophenyl)propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113216150
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-tert-butyl-4-(2-methoxy-5-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813376
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 113091536
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967055
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide (CID 113216584) is N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide is COc1ccc(C(C)(C)NC(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is FCPVLDLCZVZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,17-15(19)18-9-5-6-10-18)12-7-8-13(20-3)14(11-12)21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide?
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 113216584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).