benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate

C17H18N2O5 — CID 70300379

IUPACbenzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)OCc2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C17H18N2O5/c1-22-12-8-13(16(18)20)15(14(9-12)23-2)19-17(21)24-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyXPFFKPBFHDXTKV-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.55
Rot. Bonds6

About benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate

benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate (PubChem CID 70300379) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
PubChem CID70300379
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Namebenzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)OCc2ccccc2)c(C(N)=O)c1
InChIInChI=1S/C17H18N2O5/c1-22-12-8-13(16(18)20)15(14(9-12)23-2)19-17(21)24-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyXPFFKPBFHDXTKV-UHFFFAOYSA-N
XLogP2.55
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate 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

benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
CID 173319571
benzyl N-[4-(methanesulfonamido)-2,6-dimethoxyphenyl]carbamate
CID 131862352
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-[2-formyl-5-methoxy-3-(methoxymethoxy)phenyl]carbamate
CID 88935941
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(2,5-dimethoxyanilino)carbamate
CID 141011379
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
benzyl N-[(1S,2S)-2-benzamido-1-(2,4,6-trimethoxyphenyl)propyl]carbamate
CID 132941117

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate?
The IUPAC name of benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate (CID 70300379) is benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate?
The canonical SMILES for benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate is COc1cc(OC)c(NC(=O)OCc2ccccc2)c(C(N)=O)c1.
What is the InChIKey of benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate?
The InChIKey is XPFFKPBFHDXTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-12-8-13(16(18)20)15(14(9-12)23-2)19-17(21)24-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate?
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate has a molecular weight of 330.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate is sourced from PubChem (CID 70300379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).