3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide

C28H38N4O4 — CID 66718983

IUPAC3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)N2CCCCCCCCCCCC2)c1.NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C20H30N2O2.C8H8N2O2/c21-19(23)17-12-11-13-18(16-17)20(24)22-14-9-7-5-3-1-2-4-6-8-10-15-22;9-7(11)5-2-1-3-6(4-5)8(10)12/h11-13,16H,1-10,14-15H2,(H2,21,23);1-4H,(H2,9,11)(H2,10,12)
InChIKeyZOWLMRCXTLQNPB-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.03
Rot. Bonds4

About 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide

3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide (PubChem CID 66718983) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
PubChem CID66718983
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)N2CCCCCCCCCCCC2)c1.NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C20H30N2O2.C8H8N2O2/c21-19(23)17-12-11-13-18(16-17)20(24)22-14-9-7-5-3-1-2-4-6-8-10-15-22;9-7(11)5-2-1-3-6(4-5)8(10)12/h11-13,16H,1-10,14-15H2,(H2,21,23);1-4H,(H2,9,11)(H2,10,12)
InChIKeyZOWLMRCXTLQNPB-UHFFFAOYSA-N
XLogP4.03
TPSA149.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66781431
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CID 127019188
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
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Frequently Asked Questions

What is the IUPAC name of 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide?
The IUPAC name of 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide (CID 66718983) is 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide?
The canonical SMILES for 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)N2CCCCCCCCCCCC2)c1.NC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide?
The InChIKey is ZOWLMRCXTLQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.C8H8N2O2/c21-19(23)17-12-11-13-18(16-17)20(24)22-14-9-7-5-3-1-2-4-6-8-10-15-22;9-7(11)5-2-1-3-6(4-5)8(10)12/h11-13,16H,1-10,14-15H2,(H2,21,23);1-4H,(H2,9,11)(H2,10,12).
What are the key properties of 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide?
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide is sourced from PubChem (CID 66718983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).