4-(azacycloundecane-1-carbonyl)benzamide

C18H26N2O2 — CID 22253818

IUPAC4-(azacycloundecane-1-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCCCCCCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c19-17(21)15-9-11-16(12-10-15)18(22)20-13-7-5-3-1-2-4-6-8-14-20/h9-12H,1-8,13-14H2,(H2,19,21)
InChIKeyLKWSTQPRPRGLDP-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.36
Rot. Bonds2

About 4-(azacycloundecane-1-carbonyl)benzamide

4-(azacycloundecane-1-carbonyl)benzamide (PubChem CID 22253818) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(azacycloundecane-1-carbonyl)benzamide.

Molecular Properties

Compound Name4-(azacycloundecane-1-carbonyl)benzamide
PubChem CID22253818
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(azacycloundecane-1-carbonyl)benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCCCCCCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c19-17(21)15-9-11-16(12-10-15)18(22)20-13-7-5-3-1-2-4-6-8-14-20/h9-12H,1-8,13-14H2,(H2,19,21)
InChIKeyLKWSTQPRPRGLDP-UHFFFAOYSA-N
XLogP3.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723

Frequently Asked Questions

What is the IUPAC name of 4-(azacycloundecane-1-carbonyl)benzamide?
The IUPAC name of 4-(azacycloundecane-1-carbonyl)benzamide (CID 22253818) is 4-(azacycloundecane-1-carbonyl)benzamide.
What is the SMILES notation for 4-(azacycloundecane-1-carbonyl)benzamide?
The canonical SMILES for 4-(azacycloundecane-1-carbonyl)benzamide is NC(=O)c1ccc(C(=O)N2CCCCCCCCCC2)cc1.
What is the InChIKey of 4-(azacycloundecane-1-carbonyl)benzamide?
The InChIKey is LKWSTQPRPRGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-17(21)15-9-11-16(12-10-15)18(22)20-13-7-5-3-1-2-4-6-8-14-20/h9-12H,1-8,13-14H2,(H2,19,21).
What are the key properties of 4-(azacycloundecane-1-carbonyl)benzamide?
4-(azacycloundecane-1-carbonyl)benzamide has a molecular weight of 302.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azacycloundecane-1-carbonyl)benzamide is sourced from PubChem (CID 22253818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).