N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide

C13H17N3O3 — CID 61214741

IUPACN-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C13H17N3O3/c1-19-10-6-11(15-7-10)13(18)16-9-4-2-8(3-5-9)12(14)17/h2-5,10-11,15H,6-7H2,1H3,(H2,14,17)(H,16,18)
InChIKeyAAODKMTXIUHENE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.10
Rot. Bonds4

About N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide

N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214741) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214741
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C13H17N3O3/c1-19-10-6-11(15-7-10)13(18)16-9-4-2-8(3-5-9)12(14)17/h2-5,10-11,15H,6-7H2,1H3,(H2,14,17)(H,16,18)
InChIKeyAAODKMTXIUHENE-UHFFFAOYSA-N
XLogP0.10
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 106911790
4-methoxy-N-(4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 62327297
N-(4-butylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214462
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61213291
4-methoxy-N-(1,2-oxazol-4-yl)pyrrolidine-2-carboxamide
CID 62902745
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741
N-[3-[(dimethylamino)methyl]phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213602

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide (CID 61214741) is N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is AAODKMTXIUHENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-10-6-11(15-7-10)13(18)16-9-4-2-8(3-5-9)12(14)17/h2-5,10-11,15H,6-7H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide?
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).