N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide

C26H22N2O3 — CID 169183052

IUPACN-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
SMILESC[C@H](NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H22N2O3/c1-18(27-26(30)22-15-9-11-19-10-5-6-14-21(19)22)25(29)28-23-16-7-8-17-24(23)31-20-12-3-2-4-13-20/h2-18H,1H3,(H,27,30)(H,28,29)/t18-/m0/s1
InChIKeyZJQJDWAXSWYJDL-SFHVURJKSA-N
MW410.47 g/mol
LogP5.39
Rot. Bonds6

About N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide

N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide (PubChem CID 169183052) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
PubChem CID169183052
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC NameN-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
SMILESC[C@H](NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H22N2O3/c1-18(27-26(30)22-15-9-11-19-10-5-6-14-21(19)22)25(29)28-23-16-7-8-17-24(23)31-20-12-3-2-4-13-20/h2-18H,1H3,(H,27,30)(H,28,29)/t18-/m0/s1
InChIKeyZJQJDWAXSWYJDL-SFHVURJKSA-N
XLogP5.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide
CID 169183122
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-phenoxybenzamide
CID 60571640
N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
CID 176939045
N-(2-ethoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 17476443
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 51606040
4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
CID 80541383
(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 42093263
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide (CID 169183052) is N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide is C[C@H](NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide?
The InChIKey is ZJQJDWAXSWYJDL-SFHVURJKSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-18(27-26(30)22-15-9-11-19-10-5-6-14-21(19)22)25(29)28-23-16-7-8-17-24(23)31-20-12-3-2-4-13-20/h2-18H,1H3,(H,27,30)(H,28,29)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide?
N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 169183052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).