N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide

C27H29N3O5 — CID 87916077

IUPACN-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(OC)cc2C)cc(-c2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C27H29N3O5/c1-5-30(6-2)27(33)21-14-20(18-7-9-19(10-8-18)25(31)29-34)15-22(16-21)28-26(32)24-12-11-23(35-4)13-17(24)3/h7-16,34H,5-6H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyIRIIYGWZLRJLNR-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.52
Rot. Bonds8

About N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide

N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide (PubChem CID 87916077) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide
PubChem CID87916077
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(OC)cc2C)cc(-c2ccc(C(=O)NO)cc2)c1
InChIInChI=1S/C27H29N3O5/c1-5-30(6-2)27(33)21-14-20(18-7-9-19(10-8-18)25(31)29-34)15-22(16-21)28-26(32)24-12-11-23(35-4)13-17(24)3/h7-16,34H,5-6H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyIRIIYGWZLRJLNR-UHFFFAOYSA-N
XLogP4.52
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(hydroxycarbamoyl)phenyl]-5-(pyrrolidine-1-carbonyl)phenyl]-4-methoxy-2-methylbenzamide
CID 87915969
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-(4-methoxyphenyl)ethyl]-5-[(4-methylbenzoyl)amino]benzamide
CID 87916092
N-[4-(diethylcarbamoyl)phenyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 17488486
3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
CID 164625810
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
N-hydroxy-4-[3-[(4-methoxybenzoyl)amino]-5-(morpholine-4-carbonyl)phenyl]benzamide
CID 10217375
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
CID 55673108
3-N,3-N-diethyl-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055871
2-[4-[(4-methoxy-2-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253814
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide (CID 87916077) is N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)c2ccc(OC)cc2C)cc(-c2ccc(C(=O)NO)cc2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide?
The InChIKey is IRIIYGWZLRJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-5-30(6-2)27(33)21-14-20(18-7-9-19(10-8-18)25(31)29-34)15-22(16-21)28-26(32)24-12-11-23(35-4)13-17(24)3/h7-16,34H,5-6H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide?
N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide has a molecular weight of 475.55 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)-5-[4-(hydroxycarbamoyl)phenyl]phenyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 87916077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).