6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide

C22H29ClN4O2 — CID 3946929

IUPAC6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide
SMILESNCCCCCC(=O)NCCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H29ClN4O2/c23-18-11-13-19(14-12-18)26-22(29)27(20-8-3-1-4-9-20)17-7-16-25-21(28)10-5-2-6-15-24/h1,3-4,8-9,11-14H,2,5-7,10,15-17,24H2,(H,25,28)(H,26,29)
InChIKeyNOIBTBZVXBULCB-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.40
Rot. Bonds11

About 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide

6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide (PubChem CID 3946929) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide
PubChem CID3946929
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC Name6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide
SMILESNCCCCCC(=O)NCCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H29ClN4O2/c23-18-11-13-19(14-12-18)26-22(29)27(20-8-3-1-4-9-20)17-7-16-25-21(28)10-5-2-6-15-24/h1,3-4,8-9,11-14H,2,5-7,10,15-17,24H2,(H,25,28)(H,26,29)
InChIKeyNOIBTBZVXBULCB-UHFFFAOYSA-N
XLogP4.40
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide 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

3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide
CID 42701379
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
4-butyl-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]benzamide
CID 42700558
N-[2-[N-[(4-chlorophenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]nonanamide
CID 4235291
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]decanamide
CID 42705463
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3-phenylpropanamide
CID 42726244
1-[3-(butylcarbamoylamino)propyl]-3-(4-chlorophenyl)-1-(4-fluorophenyl)urea
CID 42704493

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide?
The IUPAC name of 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide (CID 3946929) is 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide.
What is the SMILES notation for 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide?
The canonical SMILES for 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide is NCCCCCC(=O)NCCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide?
The InChIKey is NOIBTBZVXBULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2/c23-18-11-13-19(14-12-18)26-22(29)27(20-8-3-1-4-9-20)17-7-16-25-21(28)10-5-2-6-15-24/h1,3-4,8-9,11-14H,2,5-7,10,15-17,24H2,(H,25,28)(H,26,29).
What are the key properties of 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide?
6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide has a molecular weight of 416.95 g/mol, XLogP of 4.40, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-[N-[(4-chlorophenyl)carbamoyl]anilino]propyl]hexanamide is sourced from PubChem (CID 3946929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).