2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide

C15H24N2O2 — CID 106176498

IUPAC2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide
SMILESCCC(C)(CCO)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-15(2,9-10-18)17-14(19)13(16)11-12-7-5-4-6-8-12/h4-8,13,18H,3,9-11,16H2,1-2H3,(H,17,19)
InChIKeyKQBYQJHIRVMVDN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds7

About 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide

2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide (PubChem CID 106176498) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide
PubChem CID106176498
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide
SMILESCCC(C)(CCO)NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-3-15(2,9-10-18)17-14(19)13(16)11-12-7-5-4-6-8-12/h4-8,13,18H,3,9-11,16H2,1-2H3,(H,17,19)
InChIKeyKQBYQJHIRVMVDN-UHFFFAOYSA-N
XLogP1.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide
CID 106328752
(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
CID 79004352
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-phenylbutanamide
CID 104984857
2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 114350791
N-(1-hydroxy-3-methylpentan-3-yl)-2-phenoxybutanamide
CID 106166979
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide (CID 106176498) is 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide is CCC(C)(CCO)NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide?
The InChIKey is KQBYQJHIRVMVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-15(2,9-10-18)17-14(19)13(16)11-12-7-5-4-6-8-12/h4-8,13,18H,3,9-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide?
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 106176498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).