N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide

C24H31NO — CID 3577393

IUPACN-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(c2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H31NO/c1-3-7-19-10-12-21(13-11-19)22-14-16-23(17-15-22)24(26)25-18(2)20-8-5-4-6-9-20/h4-6,8-9,14-19,21H,3,7,10-13H2,1-2H3,(H,25,26)
InChIKeyIHZMZBPXOJHONR-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.25
Rot. Bonds6

About N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide

N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide (PubChem CID 3577393) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide
PubChem CID3577393
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide
SMILESCCCC1CCC(c2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H31NO/c1-3-7-19-10-12-21(13-11-19)22-14-16-23(17-15-22)24(26)25-18(2)20-8-5-4-6-9-20/h4-6,8-9,14-19,21H,3,7,10-13H2,1-2H3,(H,25,26)
InChIKeyIHZMZBPXOJHONR-UHFFFAOYSA-N
XLogP6.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (2R)-3-methyl-2-[[(2R)-3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoyl]amino]butanoate
CID 92654644
(4-propylcyclohexyl) 4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzoate
CID 58698956
(4-propylcyclohexyl)benzene
CID 155887669
4-(4-heptylcyclohexyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 67692918
methyl 2-[4-(4-propylcyclohexyl)phenyl]propanoate
CID 70501855
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
1-[4-(4-propylcyclohexyl)phenyl]hexane-1,3-dione
CID 20503141
4-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[4-(4-pentylcyclohexyl)benzoyl]amino]butanoyl]amino]butanoate
CID 92654645
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-propylcyclohexyl)benzamide
CID 3249153

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide?
The IUPAC name of N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide (CID 3577393) is N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide?
The canonical SMILES for N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide is CCCC1CCC(c2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1.
What is the InChIKey of N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide?
The InChIKey is IHZMZBPXOJHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-3-7-19-10-12-21(13-11-19)22-14-16-23(17-15-22)24(26)25-18(2)20-8-5-4-6-9-20/h4-6,8-9,14-19,21H,3,7,10-13H2,1-2H3,(H,25,26).
What are the key properties of N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide?
N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide has a molecular weight of 349.52 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(4-propylcyclohexyl)benzamide is sourced from PubChem (CID 3577393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).