[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid

C19H22N2O7 — CID 87545769

IUPAC[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
SMILESCOc1cc(CN(Cc2ccc(C(=O)NO)cc2)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H22N2O7/c1-26-15-8-13(9-16(27-2)17(15)28-3)11-21(19(23)24)10-12-4-6-14(7-5-12)18(22)20-25/h4-9,25H,10-11H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyWIMSCKVEBIFLFG-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.51
Rot. Bonds8

About [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid

[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid (PubChem CID 87545769) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
PubChem CID87545769
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid
SMILESCOc1cc(CN(Cc2ccc(C(=O)NO)cc2)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C19H22N2O7/c1-26-15-8-13(9-16(27-2)17(15)28-3)11-21(19(23)24)10-12-4-6-14(7-5-12)18(22)20-25/h4-9,25H,10-11H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyWIMSCKVEBIFLFG-UHFFFAOYSA-N
XLogP2.51
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(hydroxycarbamoyl)phenyl]methyl-(thiophen-3-ylmethyl)carbamic acid
CID 87545623
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
CID 19861876
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 166424223
N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
CID 175347350
4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]benzoic acid
CID 66774944
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
N,N-dimethyl-4-[[[N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111377918
(2S)-N,N-dibenzyl-2-methyl-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
CID 986606
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 5201041
4-[bis[(3,4,5-trimethoxyphenyl)methyl]amino]-N-hydroxybutanamide
CID 138592054

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid?
The IUPAC name of [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid (CID 87545769) is [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid.
What is the SMILES notation for [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid?
The canonical SMILES for [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid is COc1cc(CN(Cc2ccc(C(=O)NO)cc2)C(=O)O)cc(OC)c1OC.
What is the InChIKey of [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid?
The InChIKey is WIMSCKVEBIFLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-26-15-8-13(9-16(27-2)17(15)28-3)11-21(19(23)24)10-12-4-6-14(7-5-12)18(22)20-25/h4-9,25H,10-11H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid?
[4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid has a molecular weight of 390.39 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxycarbamoyl)phenyl]methyl-[(3,4,5-trimethoxyphenyl)methyl]carbamic acid is sourced from PubChem (CID 87545769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).