(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide

C19H24N2O2 — CID 35922425

IUPAC(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)15-9-5-6-10-16(15)21-19(22)14(3)20-17-11-7-8-12-18(17)23-4/h5-14,20H,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyDFGHWXSDNFXULD-AWEZNQCLSA-N
MW312.41 g/mol
LogP4.26
Rot. Bonds6

About (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide

(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 35922425) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID35922425
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCOc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)15-9-5-6-10-16(15)21-19(22)14(3)20-17-11-7-8-12-18(17)23-4/h5-14,20H,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyDFGHWXSDNFXULD-AWEZNQCLSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
6-N-(2-methoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100651
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 35922425) is (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide is COc1ccccc1N[C@@H](C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is DFGHWXSDNFXULD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)15-9-5-6-10-16(15)21-19(22)14(3)20-17-11-7-8-12-18(17)23-4/h5-14,20H,1-4H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide?
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 312.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 35922425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).