acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide

C12H18N2O4 — CID 67918850

IUPACacetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
SMILESCC(=O)O.NCCNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C10H14N2O2.C2H4O2/c11-5-6-12-10(14)9-3-1-8(7-13)2-4-9;1-2(3)4/h1-4,13H,5-7,11H2,(H,12,14);1H3,(H,3,4)
InChIKeyBUEYERCXVYRUGB-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.04
Rot. Bonds4

About acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide

acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide (PubChem CID 67918850) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound Nameacetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
PubChem CID67918850
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameacetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
SMILESCC(=O)O.NCCNC(=O)c1ccc(CO)cc1
InChIInChI=1S/C10H14N2O2.C2H4O2/c11-5-6-12-10(14)9-3-1-8(7-13)2-4-9;1-2(3)4/h1-4,13H,5-7,11H2,(H,12,14);1H3,(H,3,4)
InChIKeyBUEYERCXVYRUGB-UHFFFAOYSA-N
XLogP-0.04
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
4-(hydroxymethyl)-N-(trimethylsilylmethyl)benzamide
CID 174748674
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride
CID 67368150
N-(2-aminoethyl)-N'-[[4-(hydroxymethyl)phenyl]methyl]oxamide
CID 107229543
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
S-[[4-(2-aminoethylcarbamoyl)phenyl]methyl] 2-bromo-2-methylpropanethioate
CID 146404417

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide?
The IUPAC name of acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide (CID 67918850) is acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide.
What is the SMILES notation for acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide?
The canonical SMILES for acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide is CC(=O)O.NCCNC(=O)c1ccc(CO)cc1.
What is the InChIKey of acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide?
The InChIKey is BUEYERCXVYRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C2H4O2/c11-5-6-12-10(14)9-3-1-8(7-13)2-4-9;1-2(3)4/h1-4,13H,5-7,11H2,(H,12,14);1H3,(H,3,4).
What are the key properties of acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide?
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide has a molecular weight of 254.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 67918850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).