N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide

C15H15N3O3 — CID 142011793

IUPACN-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide
SMILESCOc1ccc(/N=C(\N)NC(=O)c2ccccc2)cc1O
InChIInChI=1S/C15H15N3O3/c1-21-13-8-7-11(9-12(13)19)17-15(16)18-14(20)10-5-3-2-4-6-10/h2-9,19H,1H3,(H3,16,17,18,20)
InChIKeyWUNLYKHWNPQRID-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.78
Rot. Bonds3

About N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide

N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide (PubChem CID 142011793) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide
PubChem CID142011793
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide
SMILESCOc1ccc(/N=C(\N)NC(=O)c2ccccc2)cc1O
InChIInChI=1S/C15H15N3O3/c1-21-13-8-7-11(9-12(13)19)17-15(16)18-14(20)10-5-3-2-4-6-10/h2-9,19H,1H3,(H3,16,17,18,20)
InChIKeyWUNLYKHWNPQRID-UHFFFAOYSA-N
XLogP1.78
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide
CID 142011428
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide
CID 142011119
N-[2-[[N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111042731
3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]carbamimidoyl]benzamide;hydrochloride
CID 136510943
(E,5R)-5-(benzoylcarbamoyloxy)-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpent-2-enoic acid
CID 23948276
3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide
CID 135568518
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
2-[4-[[amino(hydrazinyl)methylidene]amino]-2-methoxyphenyl]acetic acid
CID 57225066
3,4-dimethoxy-N-(phenylcarbamothioyl)benzamide
CID 815886
2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
CID 3610354

Frequently Asked Questions

What is the IUPAC name of N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide?
The IUPAC name of N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide (CID 142011793) is N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide is COc1ccc(/N=C(\N)NC(=O)c2ccccc2)cc1O.
What is the InChIKey of N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide?
The InChIKey is WUNLYKHWNPQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-13-8-7-11(9-12(13)19)17-15(16)18-14(20)10-5-3-2-4-6-10/h2-9,19H,1H3,(H3,16,17,18,20).
What are the key properties of N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide?
N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide has a molecular weight of 285.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide is sourced from PubChem (CID 142011793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).