N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide

C21H26N2O2 — CID 142442818

IUPACN-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
SMILESNC(=O)C(NC(=O)CCc1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C21H26N2O2/c22-21(25)20(17-7-2-1-3-8-17)23-19(24)13-11-15-10-12-16-6-4-5-9-18(16)14-15/h4-6,9-10,12,14,17,20H,1-3,7-8,11,13H2,(H2,22,25)(H,23,24)
InChIKeyXZMGTEDELBZBJW-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.32
Rot. Bonds6

About N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide

N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide (PubChem CID 142442818) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
PubChem CID142442818
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide
SMILESNC(=O)C(NC(=O)CCc1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C21H26N2O2/c22-21(25)20(17-7-2-1-3-8-17)23-19(24)13-11-15-10-12-16-6-4-5-9-18(16)14-15/h4-6,9-10,12,14,17,20H,1-3,7-8,11,13H2,(H2,22,25)(H,23,24)
InChIKeyXZMGTEDELBZBJW-UHFFFAOYSA-N
XLogP3.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
3-methyl-2-(3-naphthalen-2-ylpropanoylamino)pentanamide
CID 142442459
1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide
CID 170732644
N-[1-cyclohexyl-2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(3,4-dihydroxyphenyl)propanamide
CID 131968881
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532
(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
CID 90253995
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
CID 134011808
2-anilino-2-cyclohexylacetamide
CID 54889288
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-cyclopentyl-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 3602543
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide
CID 61123204

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide (CID 142442818) is N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide is NC(=O)C(NC(=O)CCc1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide?
The InChIKey is XZMGTEDELBZBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-21(25)20(17-7-2-1-3-8-17)23-19(24)13-11-15-10-12-16-6-4-5-9-18(16)14-15/h4-6,9-10,12,14,17,20H,1-3,7-8,11,13H2,(H2,22,25)(H,23,24).
What are the key properties of N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide?
N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-oxoethyl)-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 142442818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).