3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide

C20H18N2O3 — CID 95706030

IUPAC3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C20H18N2O3/c1-13(20(24)22-17-8-4-7-16(11-17)19(21)23)25-18-10-9-14-5-2-3-6-15(14)12-18/h2-13H,1H3,(H2,21,23)(H,22,24)/t13-/m0/s1
InChIKeyIXIHXPMPNUYSFL-ZDUSSCGKSA-N
MW334.38 g/mol
LogP3.34
Rot. Bonds5

About 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide

3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide (PubChem CID 95706030) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
PubChem CID95706030
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C20H18N2O3/c1-13(20(24)22-17-8-4-7-16(11-17)19(21)23)25-18-10-9-14-5-2-3-6-15(14)12-18/h2-13H,1H3,(H2,21,23)(H,22,24)/t13-/m0/s1
InChIKeyIXIHXPMPNUYSFL-ZDUSSCGKSA-N
XLogP3.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetamidophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561585
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
(2R)-2-(4-methylphenoxy)-N-naphthalen-2-ylpropanamide
CID 837371
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate
CID 46664059
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
(2S)-N-(2,6-difluorophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561465
3-(2-aminopropanoylamino)benzamide
CID 61258270

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide?
The IUPAC name of 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide (CID 95706030) is 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide.
What is the SMILES notation for 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide?
The canonical SMILES for 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide is C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide?
The InChIKey is IXIHXPMPNUYSFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13(20(24)22-17-8-4-7-16(11-17)19(21)23)25-18-10-9-14-5-2-3-6-15(14)12-18/h2-13H,1H3,(H2,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide?
3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide is sourced from PubChem (CID 95706030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).