N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

C25H27ClN2O — CID 84568221

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(Cc2cccc3ccccc23)C2CC2)c(Cl)c1
InChIInChI=1S/C25H27ClN2O/c1-17-14-18(2)25(23(26)15-17)27-24(29)12-13-28(21-10-11-21)16-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,14-15,21H,10-13,16H2,1-2H3,(H,27,29)
InChIKeyZYHGDTKPGXBLBQ-UHFFFAOYSA-N
MW406.96 g/mol
LogP6.10
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (PubChem CID 84568221) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
PubChem CID84568221
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESCc1cc(C)c(NC(=O)CCN(Cc2cccc3ccccc23)C2CC2)c(Cl)c1
InChIInChI=1S/C25H27ClN2O/c1-17-14-18(2)25(23(26)15-17)27-24(29)12-13-28(21-10-11-21)16-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,14-15,21H,10-13,16H2,1-2H3,(H,27,29)
InChIKeyZYHGDTKPGXBLBQ-UHFFFAOYSA-N
XLogP6.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568214
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 84569096
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136366
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568594
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 84565015
N-butyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84567191
ethyl 2-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-5-methylthiophene-3-carboxylate
CID 84565010

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (CID 84568221) is N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is Cc1cc(C)c(NC(=O)CCN(Cc2cccc3ccccc23)C2CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The InChIKey is ZYHGDTKPGXBLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/c1-17-14-18(2)25(23(26)15-17)27-24(29)12-13-28(21-10-11-21)16-20-8-5-7-19-6-3-4-9-22(19)20/h3-9,14-15,21H,10-13,16H2,1-2H3,(H,27,29).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide has a molecular weight of 406.96 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is sourced from PubChem (CID 84568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).