N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide

C17H17N3O4 — CID 50875903

IUPACN-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H17N3O4/c1-24-14-8-3-2-7-13(14)20-16(22)10-15(21)19-12-6-4-5-11(9-12)17(18)23/h2-9H,10H2,1H3,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyGYLYZDNAAVSEQA-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.76
Rot. Bonds6

About N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide

N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide (PubChem CID 50875903) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
PubChem CID50875903
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H17N3O4/c1-24-14-8-3-2-7-13(14)20-16(22)10-15(21)19-12-6-4-5-11(9-12)17(18)23/h2-9H,10H2,1H3,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyGYLYZDNAAVSEQA-UHFFFAOYSA-N
XLogP1.76
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569
[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860686
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide?
The IUPAC name of N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide (CID 50875903) is N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide?
The canonical SMILES for N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide is COc1ccccc1NC(=O)CC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide?
The InChIKey is GYLYZDNAAVSEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-24-14-8-3-2-7-13(14)20-16(22)10-15(21)19-12-6-4-5-11(9-12)17(18)23/h2-9H,10H2,1H3,(H2,18,23)(H,19,21)(H,20,22).
What are the key properties of N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide?
N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide has a molecular weight of 327.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide is sourced from PubChem (CID 50875903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).