N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide

C25H28N2O4 — CID 43909098

IUPACN-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCCOC
InChIInChI=1S/C25H28N2O4/c1-3-23(31-20-14-13-18-9-4-5-10-19(18)17-20)25(29)27-22-12-7-6-11-21(22)24(28)26-15-8-16-30-2/h4-7,9-14,17,23H,3,8,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBRPNJZIVNVSKAZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.40
Rot. Bonds10

About N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide

N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide (PubChem CID 43909098) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
PubChem CID43909098
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC NameN-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCCOC
InChIInChI=1S/C25H28N2O4/c1-3-23(31-20-14-13-18-9-4-5-10-19(18)17-20)25(29)27-22-12-7-6-11-21(22)24(28)26-15-8-16-30-2/h4-7,9-14,17,23H,3,8,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBRPNJZIVNVSKAZ-UHFFFAOYSA-N
XLogP4.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 30384438
N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
2-[[(2S)-2-naphthalen-2-yloxybutanoyl]amino]benzamide
CID 92675284
N-butyl-2-[[(2S)-2-(4-fluorophenoxy)butanoyl]amino]benzamide
CID 28632385
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
2-(2-naphthalen-2-yloxybutanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 46771645
N-(2-methoxyethyl)-2-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 17150336
N-(2-methoxyethyl)-2-[[(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]amino]benzamide
CID 100748404
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-phenylethyl)benzamide
CID 94018440
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633197

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide (CID 43909098) is N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide is CCC(Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide?
The InChIKey is BRPNJZIVNVSKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-3-23(31-20-14-13-18-9-4-5-10-19(18)17-20)25(29)27-22-12-7-6-11-21(22)24(28)26-15-8-16-30-2/h4-7,9-14,17,23H,3,8,15-16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide?
N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide has a molecular weight of 420.51 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide is sourced from PubChem (CID 43909098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).