2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate

C20H24ClN3O3 — CID 59778513

IUPAC2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCCN(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClN3O3/c1-3-15-8-10-17(11-9-15)23-20(26)27-13-12-24(2)19(25)22-14-16-6-4-5-7-18(16)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNGUPKAWQZFMCJY-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.29
Rot. Bonds7

About 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate

2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate (PubChem CID 59778513) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate
PubChem CID59778513
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCCN(C)C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H24ClN3O3/c1-3-15-8-10-17(11-9-15)23-20(26)27-13-12-24(2)19(25)22-14-16-6-4-5-7-18(16)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyNGUPKAWQZFMCJY-UHFFFAOYSA-N
XLogP4.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)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-[(2-chlorophenyl)methylcarbamoyl-methylamino]propan-2-yl N-(4-ethylphenyl)carbamate
CID 59778593
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
2-[1-(2-aminoacetyl)-4-[(2-chlorophenyl)methylcarbamoyl]piperidin-4-yl]ethyl N-(4-ethylphenyl)carbamate
CID 59778578
2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl 2-(5-phenyl-2-pyridinyl)acetate
CID 158851099
2-N-[(2-chlorophenyl)methyl]-6-N-(4-ethylphenyl)pyridine-2,6-dicarboxamide
CID 109097909
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
1-[acetyl-[(2-chlorophenyl)methylamino]amino]propan-2-yl N-(4-ethylphenyl)carbamate
CID 140526673
[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate
CID 139916496
[3-amino-1-[2-aminoethyl-[(2-chlorophenyl)methyl]amino]-3-oxopropyl] N-(4-ethylphenyl)carbamate
CID 91802738
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate?
The IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate (CID 59778513) is 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate.
What is the SMILES notation for 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate?
The canonical SMILES for 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OCCN(C)C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate?
The InChIKey is NGUPKAWQZFMCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-3-15-8-10-17(11-9-15)23-20(26)27-13-12-24(2)19(25)22-14-16-6-4-5-7-18(16)21/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate?
2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate has a molecular weight of 389.88 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 59778513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).