1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide

C24H28BrN3O3 — CID 35215813

IUPAC1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(Cc1ccccc1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C24H28BrN3O3/c1-18(29)26-16-22(30)28(17-19-8-4-2-5-9-19)24(14-6-3-7-15-24)23(31)27-21-12-10-20(25)11-13-21/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyCHZNVHCDGPMIHK-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.26
Rot. Bonds7

About 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide

1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide (PubChem CID 35215813) has the molecular formula C24H28BrN3O3 and a molecular weight of 486.41 g/mol. Its IUPAC name is 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide
PubChem CID35215813
Molecular FormulaC24H28BrN3O3
Molecular Weight486.41 g/mol
Exact Mass485.13
IUPAC Name1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide
SMILESCC(=O)NCC(=O)N(Cc1ccccc1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C24H28BrN3O3/c1-18(29)26-16-22(30)28(17-19-8-4-2-5-9-19)24(14-6-3-7-15-24)23(31)27-21-12-10-20(25)11-13-21/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyCHZNVHCDGPMIHK-UHFFFAOYSA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide 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-(N-(2-acetamidoacetyl)anilino)-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 3995261
N-[4-(dimethylamino)phenyl]-1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]cyclohexane-1-carboxamide
CID 4283907
1-(N-(2-acetamidoacetyl)anilino)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 5222480
N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 1273056
1-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 3483081
1-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 43821471
N-(1,3-benzodioxol-5-yl)-1-[benzyl-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]cyclohexane-1-carboxamide
CID 4301474
1-[benzyl-[2-[(1R,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 17037649
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
1-[[2-(benzotriazol-1-yl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 43820337
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175

Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide (CID 35215813) is 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide is CC(=O)NCC(=O)N(Cc1ccccc1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide?
The InChIKey is CHZNVHCDGPMIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O3/c1-18(29)26-16-22(30)28(17-19-8-4-2-5-9-19)24(14-6-3-7-15-24)23(31)27-21-12-10-20(25)11-13-21/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,26,29)(H,27,31).
What are the key properties of 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide?
1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide has a molecular weight of 486.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 35215813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).