phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate

C18H20N2O4 — CID 124926393

IUPACphenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-19(17(21)23-15-9-5-3-6-10-15)13-14-20(2)18(22)24-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyIISLZOBWDASDPU-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.25
Rot. Bonds5

About phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate (PubChem CID 124926393) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
PubChem CID124926393
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namephenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-19(17(21)23-15-9-5-3-6-10-15)13-14-20(2)18(22)24-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyIISLZOBWDASDPU-UHFFFAOYSA-N
XLogP3.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]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

phenyl N-butyl-N-methylcarbamate
CID 564973
phenyl N-methyl-N-prop-2-ynylcarbamate
CID 21388381
phenyl N-(ethylsulfanylmethyl)-N-methylcarbamate
CID 22245503
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
CID 63939472
phenyl N-[[4-(dimethylamino)phenyl]methyl]-N-methylcarbamate
CID 60655551
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 69379640
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873

Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate?
The IUPAC name of phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate (CID 124926393) is phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate?
The canonical SMILES for phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate is CN(CCN(C)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate?
The InChIKey is IISLZOBWDASDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-19(17(21)23-15-9-5-3-6-10-15)13-14-20(2)18(22)24-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate?
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate has a molecular weight of 328.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 124926393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).