N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide

C24H27NO2 — CID 56587993

IUPACN-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
SMILESCOc1ccc(C#Cc2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H27NO2/c1-18(21-6-4-3-5-7-21)25-24(26)22-14-10-19(11-15-22)8-9-20-12-16-23(27-2)17-13-20/h10-18,21H,3-7H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeyOELAJEKXTCPFJR-GOSISDBHSA-N
MW361.49 g/mol
LogP4.79
Rot. Bonds4

About N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide

N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide (PubChem CID 56587993) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
PubChem CID56587993
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
SMILESCOc1ccc(C#Cc2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H27NO2/c1-18(21-6-4-3-5-7-21)25-24(26)22-14-10-19(11-15-22)8-9-20-12-16-23(27-2)17-13-20/h10-18,21H,3-7H2,1-2H3,(H,25,26)/t18-/m1/s1
InChIKeyOELAJEKXTCPFJR-GOSISDBHSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
CID 62407763
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
N-(1-cyclopentylethyl)-3-hydroxy-4-methoxybenzamide
CID 79672563
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
N-[cyano(cyclopropyl)methyl]-4-methoxybenzamide
CID 63820678

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide (CID 56587993) is N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide is COc1ccc(C#Cc2ccc(C(=O)N[C@H](C)C3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide?
The InChIKey is OELAJEKXTCPFJR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27NO2/c1-18(21-6-4-3-5-7-21)25-24(26)22-14-10-19(11-15-22)8-9-20-12-16-23(27-2)17-13-20/h10-18,21H,3-7H2,1-2H3,(H,25,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide?
N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide is sourced from PubChem (CID 56587993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).