N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide

C27H36N2O2 — CID 132947782

IUPACN-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C27H36N2O2/c1-20-14-15-24(18-21(20)2)19-26(30)29(17-16-23-10-6-4-7-11-23)22(3)27(31)28-25-12-8-5-9-13-25/h4,6-7,10-11,14-15,18,22,25H,5,8-9,12-13,16-17,19H2,1-3H3,(H,28,31)
InChIKeyHBWDIZTUUVJBJZ-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.75
Rot. Bonds8

About N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide

N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132947782) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132947782
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC NameN-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCc1ccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C27H36N2O2/c1-20-14-15-24(18-21(20)2)19-26(30)29(17-16-23-10-6-4-7-11-23)22(3)27(31)28-25-12-8-5-9-13-25/h4,6-7,10-11,14-15,18,22,25H,5,8-9,12-13,16-17,19H2,1-3H3,(H,28,31)
InChIKeyHBWDIZTUUVJBJZ-UHFFFAOYSA-N
XLogP4.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
N-tert-butyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132704511
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132610239
2-[[2-(2-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132984685
N-cyclohexyl-2-[[2-(2,6-dichlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132614260
N-cyclohexyl-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]propanamide
CID 132613191
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611313
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133263906
(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100608811
N-cyclohexyl-2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132621147

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide (CID 132947782) is N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide is Cc1ccc(CC(=O)N(CCc2ccccc2)C(C)C(=O)NC2CCCCC2)cc1C.
What is the InChIKey of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is HBWDIZTUUVJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-20-14-15-24(18-21(20)2)19-26(30)29(17-16-23-10-6-4-7-11-23)22(3)27(31)28-25-12-8-5-9-13-25/h4,6-7,10-11,14-15,18,22,25H,5,8-9,12-13,16-17,19H2,1-3H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 420.60 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132947782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).