1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate

C18H19ClN2O4 — CID 3254152

IUPAC1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate
SMILESCc1cccc(OC(=O)NCC(C)OC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O4/c1-12-4-3-5-16(10-12)25-17(22)20-11-13(2)24-18(23)21-15-8-6-14(19)7-9-15/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRXAVHYFBSSGPDY-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.37
Rot. Bonds5

About 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate

1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate (PubChem CID 3254152) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate
PubChem CID3254152
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate
SMILESCc1cccc(OC(=O)NCC(C)OC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O4/c1-12-4-3-5-16(10-12)25-17(22)20-11-13(2)24-18(23)21-15-8-6-14(19)7-9-15/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRXAVHYFBSSGPDY-UHFFFAOYSA-N
XLogP4.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)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

[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
[3-(propan-2-yloxycarbonylamino)phenyl] N-[4-(3-methylphenyl)butyl]carbamate
CID 54205965
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83820443
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
CID 11042957
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate?
The IUPAC name of 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate (CID 3254152) is 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate is Cc1cccc(OC(=O)NCC(C)OC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate?
The InChIKey is RXAVHYFBSSGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12-4-3-5-16(10-12)25-17(22)20-11-13(2)24-18(23)21-15-8-6-14(19)7-9-15/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate?
1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate has a molecular weight of 362.81 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3254152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).