(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C21H18N2O2 — CID 26689476

IUPAC(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C21H18N2O2/c1-14(21(24)23-19-8-3-15(13-22)4-9-19)16-5-6-18-12-20(25-2)10-7-17(18)11-16/h3-12,14H,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyPCQZHNXYVUCGFV-AWEZNQCLSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds4

About (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 26689476) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID26689476
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C21H18N2O2/c1-14(21(24)23-19-8-3-15(13-22)4-9-19)16-5-6-18-12-20(25-2)10-7-17(18)11-16/h3-12,14H,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyPCQZHNXYVUCGFV-AWEZNQCLSA-N
XLogP4.46
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 54790083
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
(4-cyanophenyl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 84881337
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55941108
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54790136
N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 72684236
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 26689476) is (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is PCQZHNXYVUCGFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14(21(24)23-19-8-3-15(13-22)4-9-19)16-5-6-18-12-20(25-2)10-7-17(18)11-16/h3-12,14H,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 26689476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).