(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide

C16H27N3O2 — CID 104905021

IUPAC(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)C(CN(C)C)NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H27N3O2/c1-11(2)15(10-19(3)4)18-16(21)14(17)9-12-5-7-13(20)8-6-12/h5-8,11,14-15,20H,9-10,17H2,1-4H3,(H,18,21)/t14-,15?/m1/s1
InChIKeyRIGDMDNYIJOAGK-GICMACPYSA-N
MW293.41 g/mol
LogP0.96
Rot. Bonds7

About (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905021) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide
PubChem CID104905021
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide
SMILESCC(C)C(CN(C)C)NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H27N3O2/c1-11(2)15(10-19(3)4)18-16(21)14(17)9-12-5-7-13(20)8-6-12/h5-8,11,14-15,20H,9-10,17H2,1-4H3,(H,18,21)/t14-,15?/m1/s1
InChIKeyRIGDMDNYIJOAGK-GICMACPYSA-N
XLogP0.96
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 104905321
(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
CID 7023501
methyl (2S)-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoate
CID 104904819
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 103109192
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 61148762
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
2-amino-3-(4-hydroxyphenyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947546
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
CID 104904566
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide (CID 104905021) is (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide is CC(C)C(CN(C)C)NC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is RIGDMDNYIJOAGK-GICMACPYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)15(10-19(3)4)18-16(21)14(17)9-12-5-7-13(20)8-6-12/h5-8,11,14-15,20H,9-10,17H2,1-4H3,(H,18,21)/t14-,15?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).