3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide

C18H25BrN2O2 — CID 113116671

IUPAC3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Br)c(C)c1)C1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c1-13-12-15(8-9-17(13)19)20-18(23)10-11-21(14(2)22)16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11H2,1-2H3,(H,20,23)
InChIKeyWLRULENLDOGIPB-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.27
Rot. Bonds5

About 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide

3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide (PubChem CID 113116671) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
PubChem CID113116671
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Br)c(C)c1)C1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c1-13-12-15(8-9-17(13)19)20-18(23)10-11-21(14(2)22)16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11H2,1-2H3,(H,20,23)
InChIKeyWLRULENLDOGIPB-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113115435
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide (CID 113116671) is 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Br)c(C)c1)C1CCCCC1.
What is the InChIKey of 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide?
The InChIKey is WLRULENLDOGIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-13-12-15(8-9-17(13)19)20-18(23)10-11-21(14(2)22)16-6-4-3-5-7-16/h8-9,12,16H,3-7,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide?
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide has a molecular weight of 381.31 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide is sourced from PubChem (CID 113116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).