4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

C15H22N2O3 — CID 106298903

IUPAC4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESNCCc1ccc(C(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c16-8-5-12-1-3-13(4-2-12)14(19)17-15(11-18)6-9-20-10-7-15/h1-4,18H,5-11,16H2,(H,17,19)
InChIKeyWZOOOFPQTAKEGZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.46
Rot. Bonds5

About 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide

4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (PubChem CID 106298903) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
PubChem CID106298903
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
SMILESNCCc1ccc(C(=O)NC2(CO)CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c16-8-5-12-1-3-13(4-2-12)14(19)17-15(11-18)6-9-20-10-7-15/h1-4,18H,5-11,16H2,(H,17,19)
InChIKeyWZOOOFPQTAKEGZ-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

4-(2-aminoethyl)-N-(3-methyloxolan-3-yl)benzamide
CID 113482027
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide (CID 106298903) is 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is NCCc1ccc(C(=O)NC2(CO)CCOCC2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
The InChIKey is WZOOOFPQTAKEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-8-5-12-1-3-13(4-2-12)14(19)17-15(11-18)6-9-20-10-7-15/h1-4,18H,5-11,16H2,(H,17,19).
What are the key properties of 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide?
4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]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 4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide is sourced from PubChem (CID 106298903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).