2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide

C15H24N2O2 — CID 76893519

IUPAC2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-11(2)10-17(3)15(19)14(16)9-12-5-7-13(18)8-6-12/h5-8,11,14,18H,4,9-10,16H2,1-3H3
InChIKeyFMTLXUXPAUMLAH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.77
Rot. Bonds6

About 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide (PubChem CID 76893519) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
PubChem CID76893519
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O2/c1-4-11(2)10-17(3)15(19)14(16)9-12-5-7-13(18)8-6-12/h5-8,11,14,18H,4,9-10,16H2,1-3H3
InChIKeyFMTLXUXPAUMLAH-UHFFFAOYSA-N
XLogP1.77
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide (CID 76893519) is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide is CCC(C)CN(C)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide?
The InChIKey is FMTLXUXPAUMLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-11(2)10-17(3)15(19)14(16)9-12-5-7-13(18)8-6-12/h5-8,11,14,18H,4,9-10,16H2,1-3H3.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 76893519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).