2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide

C19H21N3O7 — CID 155810557

IUPAC2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(NC(=O)CO)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O7/c1-27-14-8-12(9-15(28-2)17(14)29-3)19(26)22-21-18(25)11-4-6-13(7-5-11)20-16(24)10-23/h4-9,23H,10H2,1-3H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyPRFABRKWWQJESC-UHFFFAOYSA-N
MW403.39 g/mol
LogP0.72
Rot. Bonds7

About 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide

2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 155810557) has the molecular formula C19H21N3O7 and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
PubChem CID155810557
Molecular FormulaC19H21N3O7
Molecular Weight403.39 g/mol
Exact Mass403.14
IUPAC Name2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(NC(=O)CO)cc2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O7/c1-27-14-8-12(9-15(28-2)17(14)29-3)19(26)22-21-18(25)11-4-6-13(7-5-11)20-16(24)10-23/h4-9,23H,10H2,1-3H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyPRFABRKWWQJESC-UHFFFAOYSA-N
XLogP0.72
TPSA135.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201449
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3934727
1-(4-bromophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 12511424
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
CID 3801032
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(4-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2597337
3,4,5-trimethoxy-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2121805
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide (CID 155810557) is 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide is COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)CO)cc2)cc(OC)c1OC.
What is the InChIKey of 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is PRFABRKWWQJESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O7/c1-27-14-8-12(9-15(28-2)17(14)29-3)19(26)22-21-18(25)11-4-6-13(7-5-11)20-16(24)10-23/h4-9,23H,10H2,1-3H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 403.39 g/mol, XLogP of 0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 155810557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).