(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide

C21H22N2O2 — CID 143377610

IUPAC(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C)c3ccccc3N)ccc2c1
InChIInChI=1S/C21H22N2O2/c1-14(21(24)23(2)20-7-5-4-6-19(20)22)15-8-9-17-13-18(25-3)11-10-16(17)12-15/h4-14H,22H2,1-3H3/t14-/m0/s1
InChIKeyJSUZOIVXEKWDJT-AWEZNQCLSA-N
MW334.42 g/mol
LogP4.20
Rot. Bonds4

About (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide

(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide (PubChem CID 143377610) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
PubChem CID143377610
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C)c3ccccc3N)ccc2c1
InChIInChI=1S/C21H22N2O2/c1-14(21(24)23(2)20-7-5-4-6-19(20)22)15-8-9-17-13-18(25-3)11-10-16(17)12-15/h4-14H,22H2,1-3H3/t14-/m0/s1
InChIKeyJSUZOIVXEKWDJT-AWEZNQCLSA-N
XLogP4.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The IUPAC name of (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide (CID 143377610) is (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide.
What is the SMILES notation for (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The canonical SMILES for (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide is COc1ccc2cc([C@H](C)C(=O)N(C)c3ccccc3N)ccc2c1.
What is the InChIKey of (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
The InChIKey is JSUZOIVXEKWDJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(21(24)23(2)20-7-5-4-6-19(20)22)15-8-9-17-13-18(25-3)11-10-16(17)12-15/h4-14H,22H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide?
(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 143377610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).