N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide

C13H17N3O3 — CID 175001605

IUPACN-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)NC(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17N3O3/c1-19-11-6-4-10(5-7-11)14-12(17)15-13(18)16-8-2-3-9-16/h4-7H,2-3,8-9H2,1H3,(H2,14,15,17,18)
InChIKeyNUBJTVAJULWYMU-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.03
Rot. Bonds2

About N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide

N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide (PubChem CID 175001605) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
PubChem CID175001605
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)NC(=O)N2CCCC2)cc1
InChIInChI=1S/C13H17N3O3/c1-19-11-6-4-10(5-7-11)14-12(17)15-13(18)16-8-2-3-9-16/h4-7H,2-3,8-9H2,1H3,(H2,14,15,17,18)
InChIKeyNUBJTVAJULWYMU-UHFFFAOYSA-N
XLogP2.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26666754
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
1-[1-(azepane-1-carbonyl)cyclohexyl]-3-(4-methoxyphenyl)urea
CID 654353
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 883440
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide (CID 175001605) is N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide is COc1ccc(NC(=O)NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide?
The InChIKey is NUBJTVAJULWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-11-6-4-10(5-7-11)14-12(17)15-13(18)16-8-2-3-9-16/h4-7H,2-3,8-9H2,1H3,(H2,14,15,17,18).
What are the key properties of N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide?
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 175001605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).