phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate

C17H19NO3 — CID 60666505

IUPACphenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
SMILESCOc1ccc(C)cc1C(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C17H19NO3/c1-12-9-10-16(20-3)15(11-12)13(2)18-17(19)21-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)
InChIKeyIBDOTRNHZAGXMD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.85
Rot. Bonds4

About phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate

phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate (PubChem CID 60666505) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
PubChem CID60666505
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namephenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
SMILESCOc1ccc(C)cc1C(C)NC(=O)Oc1ccccc1
InChIInChI=1S/C17H19NO3/c1-12-9-10-16(20-3)15(11-12)13(2)18-17(19)21-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19)
InChIKeyIBDOTRNHZAGXMD-UHFFFAOYSA-N
XLogP3.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]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

1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126009593
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9262553
2-(4-benzoylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9048431
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
CID 81360922
phenyl N-[1-(2-fluorophenyl)ethyl]carbamate
CID 60630442
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate?
The IUPAC name of phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate (CID 60666505) is phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate?
The canonical SMILES for phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate is COc1ccc(C)cc1C(C)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate?
The InChIKey is IBDOTRNHZAGXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-9-10-16(20-3)15(11-12)13(2)18-17(19)21-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H,18,19).
What are the key properties of phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate?
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 60666505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).