2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide

C16H26N2O3 — CID 115432186

IUPAC2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2,11-17)15(20)18(3)10-12-7-8-13(19)14(9-12)21-4/h7-9,19H,5-6,10-11,17H2,1-4H3
InChIKeyZQUUDFBQQAKZHK-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.12
Rot. Bonds7

About 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide

2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 115432186) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
PubChem CID115432186
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2,11-17)15(20)18(3)10-12-7-8-13(19)14(9-12)21-4/h7-9,19H,5-6,10-11,17H2,1-4H3
InChIKeyZQUUDFBQQAKZHK-UHFFFAOYSA-N
XLogP2.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 115432066
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 79814208
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115448155
1-(aminomethyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119704995
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide (CID 115432186) is 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide is CCC(CC)(CN)C(=O)N(C)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is ZQUUDFBQQAKZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-16(6-2,11-17)15(20)18(3)10-12-7-8-13(19)14(9-12)21-4/h7-9,19H,5-6,10-11,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide?
2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 294.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 115432186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).