N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide

C23H28N2O5 — CID 4937859

IUPACN-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(OC)c1OC
InChIInChI=1S/C23H28N2O5/c1-28-19-14-16(15-20(29-2)21(19)30-3)22(26)24-18-11-7-6-10-17(18)23(27)25-12-8-4-5-9-13-25/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,24,26)
InChIKeyLUZYJPIMJUFFMV-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide

N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 4937859) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID4937859
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(OC)c1OC
InChIInChI=1S/C23H28N2O5/c1-28-19-14-16(15-20(29-2)21(19)30-3)22(26)24-18-11-7-6-10-17(18)23(27)25-12-8-4-5-9-13-25/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,24,26)
InChIKeyLUZYJPIMJUFFMV-UHFFFAOYSA-N
XLogP3.98
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591
3-bromo-5-methoxy-N-[2-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 35275154
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 42944718
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
(E)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26706811
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide (CID 4937859) is N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(OC)c1OC.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LUZYJPIMJUFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-28-19-14-16(15-20(29-2)21(19)30-3)22(26)24-18-11-7-6-10-17(18)23(27)25-12-8-4-5-9-13-25/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 412.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4937859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).