2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide

C14H20ClN3O2 — CID 56793685

IUPAC2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-10(8-11-4-6-12(15)7-5-11)18(3)9-13(19)17-14(20)16-2/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyWRNYBJCXDNBZSK-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.66
Rot. Bonds5

About 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide

2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide (PubChem CID 56793685) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide
PubChem CID56793685
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O2/c1-10(8-11-4-6-12(15)7-5-11)18(3)9-13(19)17-14(20)16-2/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyWRNYBJCXDNBZSK-UHFFFAOYSA-N
XLogP1.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide (CID 56793685) is 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(C)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide?
The InChIKey is WRNYBJCXDNBZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10(8-11-4-6-12(15)7-5-11)18(3)9-13(19)17-14(20)16-2/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide?
2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide has a molecular weight of 297.79 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 56793685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).