2-[methyl(propan-2-yl)amino]-3-phenylpropanamide

C13H20N2O — CID 69053477

IUPAC2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
SMILESCC(C)N(C)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-10(2)15(3)12(13(14)16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,14,16)
InChIKeyPRTDBPGHNIQDBP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.42
Rot. Bonds5

About 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide

2-[methyl(propan-2-yl)amino]-3-phenylpropanamide (PubChem CID 69053477) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
PubChem CID69053477
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
SMILESCC(C)N(C)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-10(2)15(3)12(13(14)16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,14,16)
InChIKeyPRTDBPGHNIQDBP-UHFFFAOYSA-N
XLogP1.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3-dimethyl-4-phenylbutanamide
CID 140571501
(2R)-2-acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 38359873
lithium;hydride;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 174145351
(2R)-2-[benzyl(methyl)amino]-3-hydroxypropanamide
CID 14621674
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propanamide
CID 70366423
(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
CID 10925962
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
(2S)-2-[chloromethyl(methyl)amino]-3-phenylpropanoic acid
CID 54255696
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide (CID 69053477) is 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide is CC(C)N(C)C(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide?
The InChIKey is PRTDBPGHNIQDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)15(3)12(13(14)16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,14,16).
What are the key properties of 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide?
2-[methyl(propan-2-yl)amino]-3-phenylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 69053477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).