N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

C29H32Cl2N2O2 — CID 132620793

IUPACN-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C29H32Cl2N2O2/c1-20(29(35)32-23-12-3-2-4-13-23)33(19-25-26(30)15-8-16-27(25)31)28(34)18-17-22-11-7-10-21-9-5-6-14-24(21)22/h5-11,14-16,20,23H,2-4,12-13,17-19H2,1H3,(H,32,35)
InChIKeyVTPRLVSHAGJYKF-UHFFFAOYSA-N
MW511.49 g/mol
LogP6.95
Rot. Bonds8

About N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (PubChem CID 132620793) has the molecular formula C29H32Cl2N2O2 and a molecular weight of 511.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
PubChem CID132620793
Molecular FormulaC29H32Cl2N2O2
Molecular Weight511.49 g/mol
Exact Mass510.18
IUPAC NameN-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C29H32Cl2N2O2/c1-20(29(35)32-23-12-3-2-4-13-23)33(19-25-26(30)15-8-16-27(25)31)28(34)18-17-22-11-7-10-21-9-5-6-14-24(21)22/h5-11,14-16,20,23H,2-4,12-13,17-19H2,1H3,(H,32,35)
InChIKeyVTPRLVSHAGJYKF-UHFFFAOYSA-N
XLogP6.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.49
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132617008
(2R)-N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenylpropanamide
CID 100542809
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132618963
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100505953
N-cyclohexyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132613628
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 100506920
2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexylpropanamide
CID 133174632
2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247810
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100505210
(2R)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100505860
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 100505851
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 132622824

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (CID 132620793) is N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is CC(C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The InChIKey is VTPRLVSHAGJYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N2O2/c1-20(29(35)32-23-12-3-2-4-13-23)33(19-25-26(30)15-8-16-27(25)31)28(34)18-17-22-11-7-10-21-9-5-6-14-24(21)22/h5-11,14-16,20,23H,2-4,12-13,17-19H2,1H3,(H,32,35).
What are the key properties of N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide has a molecular weight of 511.49 g/mol, XLogP of 6.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is sourced from PubChem (CID 132620793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).