4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide

C18H21N3O5 — CID 87384431

IUPAC4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
SMILESCOc1ccc(NC(=O)NCCc2ccc(C(=O)NO)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-25-14-7-8-15(16(11-14)26-2)20-18(23)19-10-9-12-3-5-13(6-4-12)17(22)21-24/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyCJEWJTVSXZMQCS-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.19
Rot. Bonds7

About 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide

4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide (PubChem CID 87384431) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
PubChem CID87384431
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide
SMILESCOc1ccc(NC(=O)NCCc2ccc(C(=O)NO)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-25-14-7-8-15(16(11-14)26-2)20-18(23)19-10-9-12-3-5-13(6-4-12)17(22)21-24/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyCJEWJTVSXZMQCS-UHFFFAOYSA-N
XLogP2.19
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.19
H-Bond Donors ≤ 54
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

1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358
1-(2,4-dimethoxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989677
2-[4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 22924113
1-(2,4-dimethoxyphenyl)-3-(3-oxobutyl)urea
CID 108895113
N-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121063367
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
CID 22575175
1-(2-methoxy-4-methylphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875415
4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347543

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide (CID 87384431) is 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide is COc1ccc(NC(=O)NCCc2ccc(C(=O)NO)cc2)c(OC)c1.
What is the InChIKey of 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
The InChIKey is CJEWJTVSXZMQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-25-14-7-8-15(16(11-14)26-2)20-18(23)19-10-9-12-3-5-13(6-4-12)17(22)21-24/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide?
4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide has a molecular weight of 359.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-dimethoxyphenyl)carbamoylamino]ethyl]-N-hydroxybenzamide is sourced from PubChem (CID 87384431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).