N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide

C27H24N2O3 — CID 33145427

IUPACN-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccccc3NC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C27H24N2O3/c1-18(20-12-13-22-17-23(32-2)15-14-21(22)16-20)26(30)28-24-10-6-7-11-25(24)29-27(31)19-8-4-3-5-9-19/h3-18H,1-2H3,(H,28,30)(H,29,31)/t18-/m0/s1
InChIKeyBBAGSEYTVWPJDZ-SFHVURJKSA-N
MW424.50 g/mol
LogP5.84
Rot. Bonds6

About N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide

N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide (PubChem CID 33145427) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
PubChem CID33145427
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccccc3NC(=O)c3ccccc3)ccc2c1
InChIInChI=1S/C27H24N2O3/c1-18(20-12-13-22-17-23(32-2)15-14-21(22)16-20)26(30)28-24-10-6-7-11-25(24)29-27(31)19-8-4-3-5-9-19/h3-18H,1-2H3,(H,28,30)(H,29,31)/t18-/m0/s1
InChIKeyBBAGSEYTVWPJDZ-SFHVURJKSA-N
XLogP5.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 29227566
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 54790110
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 176908756
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 40736580
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 16575327
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952383
(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9118488

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide (CID 33145427) is N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide is COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3NC(=O)c3ccccc3)ccc2c1.
What is the InChIKey of N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide?
The InChIKey is BBAGSEYTVWPJDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-18(20-12-13-22-17-23(32-2)15-14-21(22)16-20)26(30)28-24-10-6-7-11-25(24)29-27(31)19-8-4-3-5-9-19/h3-18H,1-2H3,(H,28,30)(H,29,31)/t18-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide?
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide is sourced from PubChem (CID 33145427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).