2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

C15H22N2O3 — CID 81131152

IUPAC2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESNCCc1ccccc1C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c16-8-5-12-3-1-2-4-13(12)14(18)17-11-15(19)6-9-20-10-7-15/h1-4,19H,5-11,16H2,(H,17,18)
InChIKeyXDNNMXGHUJLYJM-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.46
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide

2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (PubChem CID 81131152) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
PubChem CID81131152
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
SMILESNCCc1ccccc1C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c16-8-5-12-3-1-2-4-13(12)14(18)17-11-15(19)6-9-20-10-7-15/h1-4,19H,5-11,16H2,(H,17,18)
InChIKeyXDNNMXGHUJLYJM-UHFFFAOYSA-N
XLogP0.46
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-hydroxyoxan-4-yl)methylcarbamoyl]phenyl]propanoic acid
CID 146133270
1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445899
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
CID 83016133
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
4-amino-2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81133927
2-fluoro-6-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 104919925
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362936
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
CID 103849206
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide (CID 81131152) is 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is NCCc1ccccc1C(=O)NCC1(O)CCOCC1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
The InChIKey is XDNNMXGHUJLYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-8-5-12-3-1-2-4-13(12)14(18)17-11-15(19)6-9-20-10-7-15/h1-4,19H,5-11,16H2,(H,17,18).
What are the key properties of 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide?
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide is sourced from PubChem (CID 81131152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).