(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide

C16H27N3O2 — CID 104904566

IUPAC(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H27N3O2/c1-16(2,11-19(3)4)10-18-15(21)14(17)9-12-5-7-13(20)8-6-12/h5-8,14,20H,9-11,17H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyVKKILARTTIBSTN-CQSZACIVSA-N
MW293.41 g/mol
LogP0.97
Rot. Bonds7

About (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904566) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID104904566
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C16H27N3O2/c1-16(2,11-19(3)4)10-18-15(21)14(17)9-12-5-7-13(20)8-6-12/h5-8,14,20H,9-11,17H2,1-4H3,(H,18,21)/t14-/m1/s1
InChIKeyVKKILARTTIBSTN-CQSZACIVSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430
2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106292177
4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 77110984
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947546
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-(4-hydroxyphenyl)propanamide
CID 104905233
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide (CID 104904566) is (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide is CN(C)CC(C)(C)CNC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VKKILARTTIBSTN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,11-19(3)4)10-18-15(21)14(17)9-12-5-7-13(20)8-6-12/h5-8,14,20H,9-11,17H2,1-4H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 0.97, 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-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).