N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide

C19H28BrN3O2 — CID 134057080

IUPACN-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H28BrN3O2/c1-23(14-15-9-11-16(20)12-10-15)18(24)8-5-13-21-19(25)22-17-6-3-2-4-7-17/h9-12,17H,2-8,13-14H2,1H3,(H2,21,22,25)
InChIKeyBKFWQFCTFFCCHE-UHFFFAOYSA-N
MW410.36 g/mol
LogP3.82
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide

N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide (PubChem CID 134057080) has the molecular formula C19H28BrN3O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
PubChem CID134057080
Molecular FormulaC19H28BrN3O2
Molecular Weight410.36 g/mol
Exact Mass409.14
IUPAC NameN-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H28BrN3O2/c1-23(14-15-9-11-16(20)12-10-15)18(24)8-5-13-21-19(25)22-17-6-3-2-4-7-17/h9-12,17H,2-8,13-14H2,1H3,(H2,21,22,25)
InChIKeyBKFWQFCTFFCCHE-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide 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-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
4-[[N-[(4-bromophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111292922
N-[2-(2-chlorophenoxy)ethyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 18167231
N-[4-[(4-bromophenyl)methyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 78802835
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 18094197
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 134054698
N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18152189
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide (CID 134057080) is N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide is CN(Cc1ccc(Br)cc1)C(=O)CCCNC(=O)NC1CCCCC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide?
The InChIKey is BKFWQFCTFFCCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O2/c1-23(14-15-9-11-16(20)12-10-15)18(24)8-5-13-21-19(25)22-17-6-3-2-4-7-17/h9-12,17H,2-8,13-14H2,1H3,(H2,21,22,25).
What are the key properties of N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide?
N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide has a molecular weight of 410.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide is sourced from PubChem (CID 134057080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).