(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide

C14H22N2O — CID 119337733

IUPAC(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide
SMILESCCc1ccc(C(C)(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C14H22N2O/c1-5-11-6-8-12(9-7-11)14(3,4)16-13(17)10(2)15/h6-10H,5,15H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyKWHWINTVFRSSKG-JTQLQIEISA-N
MW234.34 g/mol
LogP1.95
Rot. Bonds4

About (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide

(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide (PubChem CID 119337733) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide
PubChem CID119337733
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide
SMILESCCc1ccc(C(C)(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C14H22N2O/c1-5-11-6-8-12(9-7-11)14(3,4)16-13(17)10(2)15/h6-10H,5,15H2,1-4H3,(H,16,17)/t10-/m0/s1
InChIKeyKWHWINTVFRSSKG-JTQLQIEISA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-ethylphenyl)propan-2-yl]pentanamide
CID 119337742
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
1,3-bis[3-(4-ethylphenyl)pentan-3-yl]urea
CID 15589244
(2R)-2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242373
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide
CID 120563338
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide
CID 54891464
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119808542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide (CID 119337733) is (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide is CCc1ccc(C(C)(C)NC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide?
The InChIKey is KWHWINTVFRSSKG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11-6-8-12(9-7-11)14(3,4)16-13(17)10(2)15/h6-10H,5,15H2,1-4H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide?
(2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-ethylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 119337733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).