3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide

C12H18N2O2 — CID 114332302

IUPAC3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-8(9(2)13)12(16)14-7-10-5-3-4-6-11(10)15/h3-6,8-9,15H,7,13H2,1-2H3,(H,14,16)
InChIKeyGKILEMWBSWABMW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.99
Rot. Bonds4

About 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide

3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide (PubChem CID 114332302) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
PubChem CID114332302
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-8(9(2)13)12(16)14-7-10-5-3-4-6-11(10)15/h3-6,8-9,15H,7,13H2,1-2H3,(H,14,16)
InChIKeyGKILEMWBSWABMW-UHFFFAOYSA-N
XLogP0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 120502633
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 120500571
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
3-amino-2-methyl-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]butanamide
CID 120504037
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-[(1-aminoethylamino)methyl]phenol
CID 67733562
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide (CID 114332302) is 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCc1ccccc1O.
What is the InChIKey of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide?
The InChIKey is GKILEMWBSWABMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(9(2)13)12(16)14-7-10-5-3-4-6-11(10)15/h3-6,8-9,15H,7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide?
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide is sourced from PubChem (CID 114332302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).