(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide

C14H22N2O2 — CID 40794639

IUPAC(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)NC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10(16-14(2,3)4)13(17)15-11-8-6-7-9-12(11)18-5/h6-10,16H,1-5H3,(H,15,17)/t10-/m0/s1
InChIKeyHXLNUOWOUKUJIK-JTQLQIEISA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds4

About (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide

(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide (PubChem CID 40794639) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
PubChem CID40794639
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@H](C)NC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-10(16-14(2,3)4)13(17)15-11-8-6-7-9-12(11)18-5/h6-10,16H,1-5H3,(H,15,17)/t10-/m0/s1
InChIKeyHXLNUOWOUKUJIK-JTQLQIEISA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(2-methoxyphenyl)propanamide
CID 47097666
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2S)-N-(2-methoxyphenyl)-3-methyl-2-methylsulfanylbutanamide
CID 97234739
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide (CID 40794639) is (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@H](C)NC(C)(C)C.
What is the InChIKey of (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is HXLNUOWOUKUJIK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(16-14(2,3)4)13(17)15-11-8-6-7-9-12(11)18-5/h6-10,16H,1-5H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide?
(2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 40794639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).