4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide

C19H28N2O2 — CID 43921278

IUPAC4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-19(20-14-18-6-5-13-23-18)17-9-7-16(8-10-17)15-21-11-3-1-2-4-12-21/h7-10,18H,1-6,11-15H2,(H,20,22)
InChIKeyNCORVSIKLILPBO-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.97
Rot. Bonds5

About 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide

4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43921278) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43921278
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(CN2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c22-19(20-14-18-6-5-13-23-18)17-9-7-16(8-10-17)15-21-11-3-1-2-4-12-21/h7-10,18H,1-6,11-15H2,(H,20,22)
InChIKeyNCORVSIKLILPBO-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(azepan-1-ylmethyl)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 38100664
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-2-ylmethyl)benzamide
CID 90649436
N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 126425605
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 40819163
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
1-ethyl-3-(oxolan-2-ylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111138481

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide (CID 43921278) is 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(CN2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is NCORVSIKLILPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(20-14-18-6-5-13-23-18)17-9-7-16(8-10-17)15-21-11-3-1-2-4-12-21/h7-10,18H,1-6,11-15H2,(H,20,22).
What are the key properties of 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 316.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43921278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).