2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide

C16H26N2O2 — CID 107471648

IUPAC2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide
SMILESCN(Cc1cccc(O)c1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)9-13(10-17)15(20)18(4)11-12-6-5-7-14(19)8-12/h5-8,13,19H,9-11,17H2,1-4H3
InChIKeyQQXGLVVFLVOCBB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds5

About 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide

2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide (PubChem CID 107471648) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide
PubChem CID107471648
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide
SMILESCN(Cc1cccc(O)c1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H26N2O2/c1-16(2,3)9-13(10-17)15(20)18(4)11-12-6-5-7-14(19)8-12/h5-8,13,19H,9-11,17H2,1-4H3
InChIKeyQQXGLVVFLVOCBB-UHFFFAOYSA-N
XLogP2.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N,4,4-trimethyl-N-[(4-methylphenyl)methyl]pentanamide
CID 107471089
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
4-amino-5-[(3-hydroxyphenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64890296
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
CID 107471201
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
2-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylpentanamide
CID 107471113
2-(aminomethyl)-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 65230274
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide (CID 107471648) is 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide is CN(Cc1cccc(O)c1)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide?
The InChIKey is QQXGLVVFLVOCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)9-13(10-17)15(20)18(4)11-12-6-5-7-14(19)8-12/h5-8,13,19H,9-11,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide?
2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide is sourced from PubChem (CID 107471648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).