N-[(2S)-1-phenylpropan-2-yl]propanamide

C12H17NO — CID 102304952

IUPACN-[(2S)-1-phenylpropan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-12(14)13-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyXIFQVHAIWLZAHL-JTQLQIEISA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds4

About N-[(2S)-1-phenylpropan-2-yl]propanamide

N-[(2S)-1-phenylpropan-2-yl]propanamide (PubChem CID 102304952) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(2S)-1-phenylpropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-phenylpropan-2-yl]propanamide
PubChem CID102304952
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(2S)-1-phenylpropan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-3-12(14)13-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyXIFQVHAIWLZAHL-JTQLQIEISA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
2-[2-(aminomethyl)phenyl]-N-(1-phenylpropan-2-yl)acetamide
CID 81312625
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
2-[(2-methylpropan-2-yl)oxy]-N-(1-phenylpropan-2-yl)acetamide
CID 112605295
N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67616558
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-phenylpropan-2-yl]propanamide?
The IUPAC name of N-[(2S)-1-phenylpropan-2-yl]propanamide (CID 102304952) is N-[(2S)-1-phenylpropan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-phenylpropan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-1-phenylpropan-2-yl]propanamide is CCC(=O)N[C@@H](C)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-phenylpropan-2-yl]propanamide?
The InChIKey is XIFQVHAIWLZAHL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(14)13-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-phenylpropan-2-yl]propanamide?
N-[(2S)-1-phenylpropan-2-yl]propanamide has a molecular weight of 191.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-phenylpropan-2-yl]propanamide is sourced from PubChem (CID 102304952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).