N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide

C15H21N3O3 — CID 61213314

IUPACN-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2C(=O)N(C)C)C1
InChIInChI=1S/C15H21N3O3/c1-18(2)15(20)11-6-4-5-7-12(11)17-14(19)13-8-10(21-3)9-16-13/h4-7,10,13,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyXIONQLZQBBACTO-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.70
Rot. Bonds4

About N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide

N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61213314) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61213314
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2C(=O)N(C)C)C1
InChIInChI=1S/C15H21N3O3/c1-18(2)15(20)11-6-4-5-7-12(11)17-14(19)13-8-10(21-3)9-16-13/h4-7,10,13,16H,8-9H2,1-3H3,(H,17,19)
InChIKeyXIONQLZQBBACTO-UHFFFAOYSA-N
XLogP0.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646
4-methoxy-N-(2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61214182
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
CID 64563985
4-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61215202
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213324
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214618

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide (CID 61213314) is N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccccc2C(=O)N(C)C)C1.
What is the InChIKey of N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is XIONQLZQBBACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)15(20)11-6-4-5-7-12(11)17-14(19)13-8-10(21-3)9-16-13/h4-7,10,13,16H,8-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61213314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).