6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide

C16H24ClN3O2 — CID 47025634

IUPAC6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCCCNC(N)=O
InChIInChI=1S/C16H24ClN3O2/c1-12(13-7-9-14(17)10-8-13)20(2)15(21)6-4-3-5-11-19-16(18)22/h7-10,12H,3-6,11H2,1-2H3,(H3,18,19,22)
InChIKeyCBSLZILCESCDOX-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.09
Rot. Bonds8

About 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide

6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide (PubChem CID 47025634) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
PubChem CID47025634
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CCCCCNC(N)=O
InChIInChI=1S/C16H24ClN3O2/c1-12(13-7-9-14(17)10-8-13)20(2)15(21)6-4-3-5-11-19-16(18)22/h7-10,12H,3-6,11H2,1-2H3,(H3,18,19,22)
InChIKeyCBSLZILCESCDOX-UHFFFAOYSA-N
XLogP3.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide 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

6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
N-[4-[1-(4-chlorophenyl)ethyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46431231
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54870564
4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252
4-chloro-N-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350253
3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 113221619
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46598912
N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134003912
4-amino-N-[3-(4-chlorophenyl)butan-2-yl]-N-methylpentanamide
CID 120563545
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253

Frequently Asked Questions

What is the IUPAC name of 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
The IUPAC name of 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide (CID 47025634) is 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide.
What is the SMILES notation for 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
The canonical SMILES for 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CCCCCNC(N)=O.
What is the InChIKey of 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
The InChIKey is CBSLZILCESCDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-12(13-7-9-14(17)10-8-13)20(2)15(21)6-4-3-5-11-19-16(18)22/h7-10,12H,3-6,11H2,1-2H3,(H3,18,19,22).
What are the key properties of 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide?
6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide has a molecular weight of 325.84 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(carbamoylamino)-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide is sourced from PubChem (CID 47025634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).