N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide

C24H26N2O3 — CID 9166825

IUPACN-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
SMILESCC(C)COc1cccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O3/c1-17(2)16-29-20-11-6-10-19(14-20)24(28)26(3)15-23(27)25-22-13-7-9-18-8-4-5-12-21(18)22/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyKEONLJPYODTITB-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.59
Rot. Bonds7

About N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide

N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide (PubChem CID 9166825) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
PubChem CID9166825
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
SMILESCC(C)COc1cccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C24H26N2O3/c1-17(2)16-29-20-11-6-10-19(14-20)24(28)26(3)15-23(27)25-22-13-7-9-18-8-4-5-12-21(18)22/h4-14,17H,15-16H2,1-3H3,(H,25,27)
InChIKeyKEONLJPYODTITB-UHFFFAOYSA-N
XLogP4.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11226457
(2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-3-methylbutan-2-yl]-2-[(3-methoxyphenyl)formamido]butanamide
CID 11477975
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(naphthalen-2-yl)propanamide
CID 23648328
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CID 23648336
6-(4-(4-(8-Fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 24738459
6-(3-(4-(Naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068905
6-(3-(4-(7-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068906
6-(3-(4-(8-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068907
6-(3-(4-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068963

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide (CID 9166825) is N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide is CC(C)COc1cccc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
The InChIKey is KEONLJPYODTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17(2)16-29-20-11-6-10-19(14-20)24(28)26(3)15-23(27)25-22-13-7-9-18-8-4-5-12-21(18)22/h4-14,17H,15-16H2,1-3H3,(H,25,27).
What are the key properties of N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide?
N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylpropoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9166825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).