N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide

C24H30Cl2N2O3 — CID 132721104

IUPACN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide
SMILESCCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1
InChIInChI=1S/C24H30Cl2N2O3/c1-3-4-15-27-24(30)18(2)28(17-20-21(25)12-8-13-22(20)26)23(29)14-9-16-31-19-10-6-5-7-11-19/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3,(H,27,30)
InChIKeyPDMSQIMNMLHGJX-UHFFFAOYSA-N
MW465.42 g/mol
LogP5.49
Rot. Bonds12

About N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide

N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide (PubChem CID 132721104) has the molecular formula C24H30Cl2N2O3 and a molecular weight of 465.42 g/mol. Its IUPAC name is N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide
PubChem CID132721104
Molecular FormulaC24H30Cl2N2O3
Molecular Weight465.42 g/mol
Exact Mass464.16
IUPAC NameN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide
SMILESCCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1
InChIInChI=1S/C24H30Cl2N2O3/c1-3-4-15-27-24(30)18(2)28(17-20-21(25)12-8-13-22(20)26)23(29)14-9-16-31-19-10-6-5-7-11-19/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3,(H,27,30)
InChIKeyPDMSQIMNMLHGJX-UHFFFAOYSA-N
XLogP5.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide 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

N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]-4-phenoxybutanamide
CID 132721105
N-[(3-chlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 132947564
4-(4-chlorophenoxy)-N-[(2,6-dichlorophenyl)methyl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132677710
4-(4-chlorophenoxy)-N-[(2,6-dichlorophenyl)methyl]-N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100709039
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-(N-methylsulfonylanilino)butanamide
CID 132736669
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(4-chlorophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 133257908
N-[(2,6-dichlorophenyl)methyl]-N-[(2S)-1-oxo-3-phenyl-1-(propan-2-ylamino)propan-2-yl]-4-phenoxybutanamide
CID 100543703
N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 100527476
N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
CID 132721144
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-(4-phenoxybutanoyl)amino]butanamide
CID 132616680
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 132709943
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-phenoxybutanamide
CID 100555164

Frequently Asked Questions

What is the IUPAC name of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide (CID 132721104) is N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide is CCCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide?
The InChIKey is PDMSQIMNMLHGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O3/c1-3-4-15-27-24(30)18(2)28(17-20-21(25)12-8-13-22(20)26)23(29)14-9-16-31-19-10-6-5-7-11-19/h5-8,10-13,18H,3-4,9,14-17H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide?
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide has a molecular weight of 465.42 g/mol, XLogP of 5.49, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2,6-dichlorophenyl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 132721104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).