N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide

C17H24BrNO — CID 114314101

IUPACN-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2(CBr)CCCCC2)cc1
InChIInChI=1S/C17H24BrNO/c1-14-5-7-15(8-6-14)9-10-16(20)19-17(13-18)11-3-2-4-12-17/h5-8H,2-4,9-13H2,1H3,(H,19,20)
InChIKeyPPYZXSWHGSUNLZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.14
Rot. Bonds5

About N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide

N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide (PubChem CID 114314101) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
PubChem CID114314101
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2(CBr)CCCCC2)cc1
InChIInChI=1S/C17H24BrNO/c1-14-5-7-15(8-6-14)9-10-16(20)19-17(13-18)11-3-2-4-12-17/h5-8H,2-4,9-13H2,1H3,(H,19,20)
InChIKeyPPYZXSWHGSUNLZ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 43132383
N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide
CID 113275468
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
CID 119217757
N-[4-(bromomethyl)oxan-4-yl]-3-(4-methoxyphenyl)propanamide
CID 106304776
N-[1-(bromomethyl)cyclopentyl]butanamide
CID 114311287
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
CID 114300597
N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
CID 119566013
N-[1-(bromomethyl)cyclopentyl]hexanamide
CID 114311357
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
N-[1-(hydroxymethyl)cyclohexyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 62520044
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
CID 114314026
2-[1-[3-(3,5-dimethylphenyl)propanoylamino]cyclobutyl]acetic acid
CID 120522116

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide (CID 114314101) is N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC2(CBr)CCCCC2)cc1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide?
The InChIKey is PPYZXSWHGSUNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-14-5-7-15(8-6-14)9-10-16(20)19-17(13-18)11-3-2-4-12-17/h5-8H,2-4,9-13H2,1H3,(H,19,20).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide?
N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide has a molecular weight of 338.29 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 114314101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).