N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

C27H36N2O3 — CID 132611302

IUPACN-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1cccc(CN(C(=O)Cc2cc(C)ccc2C)C(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H36N2O3/c1-19-13-14-20(2)23(15-19)17-26(30)29(18-22-9-8-12-25(16-22)32-4)21(3)27(31)28-24-10-6-5-7-11-24/h8-9,12-16,21,24H,5-7,10-11,17-18H2,1-4H3,(H,28,31)
InChIKeySNDOKGFSPQRASY-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.72
Rot. Bonds8

About N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132611302) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
PubChem CID132611302
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC NameN-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1cccc(CN(C(=O)Cc2cc(C)ccc2C)C(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H36N2O3/c1-19-13-14-20(2)23(15-19)17-26(30)29(18-22-9-8-12-25(16-22)32-4)21(3)27(31)28-24-10-6-5-7-11-24/h8-9,12-16,21,24H,5-7,10-11,17-18H2,1-4H3,(H,28,31)
InChIKeySNDOKGFSPQRASY-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133261544
(2R)-2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 100564371
(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100511579
N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132984667
N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132947968
2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612036
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100509731
N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 132761774
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 132610225
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]butanamide
CID 100510007
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(3-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100510531
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132985678

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (CID 132611302) is N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is COc1cccc(CN(C(=O)Cc2cc(C)ccc2C)C(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is SNDOKGFSPQRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-19-13-14-20(2)23(15-19)17-26(30)29(18-22-9-8-12-25(16-22)32-4)21(3)27(31)28-24-10-6-5-7-11-24/h8-9,12-16,21,24H,5-7,10-11,17-18H2,1-4H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 436.60 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132611302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).