(4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate

C17H18N2O5 — CID 789951

IUPAC(4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate
SMILESCOc1ccc(COC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O5/c1-22-14-7-3-12(4-8-14)11-24-17(21)19-18-16(20)13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRGVDTDMUZWCUFS-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.28
Rot. Bonds5

About (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate

(4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate (PubChem CID 789951) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate
PubChem CID789951
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate
SMILESCOc1ccc(COC(=O)NNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O5/c1-22-14-7-3-12(4-8-14)11-24-17(21)19-18-16(20)13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRGVDTDMUZWCUFS-UHFFFAOYSA-N
XLogP2.28
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxybenzohydrazide
CID 76792
4-tert-butyl-N'-[(4-methoxyphenyl)carbonyl]benzohydrazide
CID 774424
N'1,N'6-bis(4-methoxybenzoyl)hexanedihydrazide
CID 3115394
N'-butyl-4-methoxybenzohydrazide
CID 71306436
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
N'-[(tert-butoxy)carbonyl]-4-methoxybenzohydrazide
CID 3117725
4-Ethoxybenzhydrazide
CID 143561
4-(Benzyloxy)benzohydrazide
CID 1526486
4-methoxy-N'-(phenylacetyl)benzohydrazide
CID 695069
N'-cinnamoyl-3-methoxybenzohydrazide
CID 795407
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2488507
4-fluoro-N'-[3-(4-methoxyphenyl)propanoyl]benzohydrazide
CID 2529296

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate (CID 789951) is (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate is COc1ccc(COC(=O)NNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate?
The InChIKey is RGVDTDMUZWCUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-14-7-3-12(4-8-14)11-24-17(21)19-18-16(20)13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate?
(4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate has a molecular weight of 330.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[(4-methoxybenzoyl)amino]carbamate is sourced from PubChem (CID 789951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).