(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide

C22H22N2O4 — CID 8949497

IUPAC(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
SMILESCOc1ccc2ccc(O[C@@H](C)C(=O)NC(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C22H22N2O4/c1-15(21(25)24-22(26)23-14-16-6-4-3-5-7-16)28-20-11-9-17-8-10-19(27-2)12-18(17)13-20/h3-13,15H,14H2,1-2H3,(H2,23,24,25,26)/t15-/m0/s1
InChIKeyNTWKZTNKVAJNKW-HNNXBMFYSA-N
MW378.43 g/mol
LogP3.64
Rot. Bonds6

About (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide

(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide (PubChem CID 8949497) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
PubChem CID8949497
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
SMILESCOc1ccc2ccc(O[C@@H](C)C(=O)NC(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C22H22N2O4/c1-15(21(25)24-22(26)23-14-16-6-4-3-5-7-16)28-20-11-9-17-8-10-19(27-2)12-18(17)13-20/h3-13,15H,14H2,1-2H3,(H2,23,24,25,26)/t15-/m0/s1
InChIKeyNTWKZTNKVAJNKW-HNNXBMFYSA-N
XLogP3.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578127
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-[(4-methylphenyl)methyl]propanamide
CID 8949471
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 55423610
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate
CID 55417062
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952277

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
The IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide (CID 8949497) is (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide is COc1ccc2ccc(O[C@@H](C)C(=O)NC(=O)NCc3ccccc3)cc2c1.
What is the InChIKey of (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
The InChIKey is NTWKZTNKVAJNKW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(21(25)24-22(26)23-14-16-6-4-3-5-7-16)28-20-11-9-17-8-10-19(27-2)12-18(17)13-20/h3-13,15H,14H2,1-2H3,(H2,23,24,25,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide has a molecular weight of 378.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide is sourced from PubChem (CID 8949497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).