benzyl N-(2,5-dimethoxyanilino)carbamate

C16H18N2O4 — CID 141011379

IUPACbenzyl N-(2,5-dimethoxyanilino)carbamate
SMILESCOc1ccc(OC)c(NNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H18N2O4/c1-20-13-8-9-15(21-2)14(10-13)17-18-16(19)22-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyCDUQVUHMACQOSS-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.96
Rot. Bonds6

About benzyl N-(2,5-dimethoxyanilino)carbamate

benzyl N-(2,5-dimethoxyanilino)carbamate (PubChem CID 141011379) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is benzyl N-(2,5-dimethoxyanilino)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,5-dimethoxyanilino)carbamate
PubChem CID141011379
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Namebenzyl N-(2,5-dimethoxyanilino)carbamate
SMILESCOc1ccc(OC)c(NNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H18N2O4/c1-20-13-8-9-15(21-2)14(10-13)17-18-16(19)22-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyCDUQVUHMACQOSS-UHFFFAOYSA-N
XLogP2.96
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.96
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

benzyl N-[3-(2,5-dimethoxyanilino)cyclobutyl]carbamate
CID 103392778
benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
N-(2,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399992
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
benzyl N-[(2S)-1-(2-chloro-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 86857939

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,5-dimethoxyanilino)carbamate?
The IUPAC name of benzyl N-(2,5-dimethoxyanilino)carbamate (CID 141011379) is benzyl N-(2,5-dimethoxyanilino)carbamate.
What is the SMILES notation for benzyl N-(2,5-dimethoxyanilino)carbamate?
The canonical SMILES for benzyl N-(2,5-dimethoxyanilino)carbamate is COc1ccc(OC)c(NNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-(2,5-dimethoxyanilino)carbamate?
The InChIKey is CDUQVUHMACQOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-20-13-8-9-15(21-2)14(10-13)17-18-16(19)22-11-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of benzyl N-(2,5-dimethoxyanilino)carbamate?
benzyl N-(2,5-dimethoxyanilino)carbamate has a molecular weight of 302.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,5-dimethoxyanilino)carbamate is sourced from PubChem (CID 141011379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).