2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide

C16H26N2O2 — CID 107470924

IUPAC2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-8-6-13(7-9-14)18-15(19)12(11-17)10-16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyARJWMJQPIYTENK-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.03
Rot. Bonds6

About 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide (PubChem CID 107470924) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
PubChem CID107470924
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-5-20-14-8-6-13(7-9-14)18-15(19)12(11-17)10-16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19)
InChIKeyARJWMJQPIYTENK-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
CID 107471479
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
CID 131859212
N-(4-ethoxyphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750477

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide (CID 107470924) is 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide is CCOc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide?
The InChIKey is ARJWMJQPIYTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-20-14-8-6-13(7-9-14)18-15(19)12(11-17)10-16(2,3)4/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107470924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).