N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide

C16H22N2O3 — CID 116637743

IUPACN-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
SMILESO=C(CN1CCCCCC1CO)NC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-12-14-9-5-2-6-10-18(14)11-15(20)17-16(21)13-7-3-1-4-8-13/h1,3-4,7-8,14,19H,2,5-6,9-12H2,(H,17,20,21)
InChIKeyOVZABUIVUXISNR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.18
Rot. Bonds4

About N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide

N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide (PubChem CID 116637743) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
PubChem CID116637743
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide
SMILESO=C(CN1CCCCCC1CO)NC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-12-14-9-5-2-6-10-18(14)11-15(20)17-16(21)13-7-3-1-4-8-13/h1,3-4,7-8,14,19H,2,5-6,9-12H2,(H,17,20,21)
InChIKeyOVZABUIVUXISNR-UHFFFAOYSA-N
XLogP1.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-2-phenylacetamide
CID 60684561
N'-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]benzohydrazide
CID 66262005
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]furan-2-carboxamide
CID 116637783
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-2-phenylacetamide
CID 66260986
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62015911
N-(4-benzoylphenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 22447957
N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
N-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684580
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168
2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide (CID 116637743) is N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide is O=C(CN1CCCCCC1CO)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide?
The InChIKey is OVZABUIVUXISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-12-14-9-5-2-6-10-18(14)11-15(20)17-16(21)13-7-3-1-4-8-13/h1,3-4,7-8,14,19H,2,5-6,9-12H2,(H,17,20,21).
What are the key properties of N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide?
N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)azepan-1-yl]acetyl]benzamide is sourced from PubChem (CID 116637743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).