(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide

C16H26N2O — CID 79004352

IUPAC(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
SMILESCCC(CC)(CC)NC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,6-3)18-15(19)14(17)12-13-10-8-7-9-11-13/h7-11,14H,4-6,12,17H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyRBCMEYDZEFIHJS-CQSZACIVSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds7

About (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide

(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide (PubChem CID 79004352) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
PubChem CID79004352
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
SMILESCCC(CC)(CC)NC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-16(5-2,6-3)18-15(19)14(17)12-13-10-8-7-9-11-13/h7-11,14H,4-6,12,17H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyRBCMEYDZEFIHJS-CQSZACIVSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide
CID 106328752
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide
CID 106176498
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520328

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide (CID 79004352) is (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide is CCC(CC)(CC)NC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide?
The InChIKey is RBCMEYDZEFIHJS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(5-2,6-3)18-15(19)14(17)12-13-10-8-7-9-11-13/h7-11,14H,4-6,12,17H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide?
(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 79004352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).