N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide

C12H18N2O2 — CID 80741503

IUPACN-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(N)CCNC(=O)Cc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-9(13)6-7-14-12(16)8-10-4-2-3-5-11(10)15/h2-5,9,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyWMCFPVAFLBHUQD-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds5

About N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide

N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 80741503) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID80741503
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(N)CCNC(=O)Cc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-9(13)6-7-14-12(16)8-10-4-2-3-5-11(10)15/h2-5,9,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyWMCFPVAFLBHUQD-UHFFFAOYSA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 111662196
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
ethyl 3-[[2-(2-hydroxyphenyl)acetyl]amino]propanoate
CID 78916962
2-[2-[(4-aminopentanoylamino)methyl]phenyl]acetic acid
CID 81317700
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
CID 114332302

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide (CID 80741503) is N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide is CC(N)CCNC(=O)Cc1ccccc1O.
What is the InChIKey of N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is WMCFPVAFLBHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(13)6-7-14-12(16)8-10-4-2-3-5-11(10)15/h2-5,9,15H,6-8,13H2,1H3,(H,14,16).
What are the key properties of N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide?
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 80741503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).