4-methoxy-N-phenylpyrrolidine-2-carboxamide

C12H16N2O2 — CID 61213145

IUPAC4-methoxy-N-phenylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c1-16-10-7-11(13-8-10)12(15)14-9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3,(H,14,15)
InChIKeyZLOOSZKNSYWNBY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.00
Rot. Bonds3

About 4-methoxy-N-phenylpyrrolidine-2-carboxamide

4-methoxy-N-phenylpyrrolidine-2-carboxamide (PubChem CID 61213145) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methoxy-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-phenylpyrrolidine-2-carboxamide
PubChem CID61213145
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-methoxy-N-phenylpyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C12H16N2O2/c1-16-10-7-11(13-8-10)12(15)14-9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3,(H,14,15)
InChIKeyZLOOSZKNSYWNBY-UHFFFAOYSA-N
XLogP1.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214462
N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213602

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-phenylpyrrolidine-2-carboxamide (CID 61213145) is 4-methoxy-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-phenylpyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 4-methoxy-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is ZLOOSZKNSYWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-10-7-11(13-8-10)12(15)14-9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-N-phenylpyrrolidine-2-carboxamide?
4-methoxy-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61213145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).