3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide

C15H24N2O2 — CID 80552726

IUPAC3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)N[C@H](CO)C(C)C)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-10(2)13(9-18)17-15(19)11(3)14(16)12-7-5-4-6-8-12/h4-8,10-11,13-14,18H,9,16H2,1-3H3,(H,17,19)/t11?,13-,14?/m1/s1
InChIKeyHKCQQEBVJLYZKB-HRDQMINSSA-N
MW264.37 g/mol
LogP1.46
Rot. Bonds6

About 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide

3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide (PubChem CID 80552726) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
PubChem CID80552726
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)N[C@H](CO)C(C)C)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-10(2)13(9-18)17-15(19)11(3)14(16)12-7-5-4-6-8-12/h4-8,10-11,13-14,18H,9,16H2,1-3H3,(H,17,19)/t11?,13-,14?/m1/s1
InChIKeyHKCQQEBVJLYZKB-HRDQMINSSA-N
XLogP1.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methyl-3-phenylpropanamide
CID 103109133
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide (CID 80552726) is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide is CC(C(=O)N[C@H](CO)C(C)C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide?
The InChIKey is HKCQQEBVJLYZKB-HRDQMINSSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)13(9-18)17-15(19)11(3)14(16)12-7-5-4-6-8-12/h4-8,10-11,13-14,18H,9,16H2,1-3H3,(H,17,19)/t11?,13-,14?/m1/s1.
What are the key properties of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide?
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 80552726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).