N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide

C18H26N2O2 — CID 113052915

IUPACN-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-16(11-9-14)18(22)19-12-13-20(15(2)21)17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyVSJJCBCHZSZDHU-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide

N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide (PubChem CID 113052915) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
PubChem CID113052915
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-16(11-9-14)18(22)19-12-13-20(15(2)21)17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKeyVSJJCBCHZSZDHU-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
N-[2-[acetyl(cyclohexyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113052925
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-bromobenzamide
CID 113052919
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide (CID 113052915) is N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is VSJJCBCHZSZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-8-10-16(11-9-14)18(22)19-12-13-20(15(2)21)17-6-4-3-5-7-17/h8-11,17H,3-7,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide?
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 113052915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).