N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide

C29H35N3O5 — CID 46262181

IUPACN-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCCCCC2)c2ccccc21
InChIInChI=1S/C29H35N3O5/c1-5-31-19-21(22-12-8-9-13-24(22)31)16-23(29(34)32-14-10-6-7-11-15-32)30-28(33)20-17-25(35-2)27(37-4)26(18-20)36-3/h8-9,12-13,16-19H,5-7,10-11,14-15H2,1-4H3,(H,30,33)/b23-16-
InChIKeyDYSMWCFRTNJBMF-KQWNVCNZSA-N
MW505.62 g/mol
LogP4.86
Rot. Bonds8

About N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide

N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 46262181) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID46262181
Molecular FormulaC29H35N3O5
Molecular Weight505.62 g/mol
Exact Mass505.26
IUPAC NameN-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide
SMILESCCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCCCCC2)c2ccccc21
InChIInChI=1S/C29H35N3O5/c1-5-31-19-21(22-12-8-9-13-24(22)31)16-23(29(34)32-14-10-6-7-11-15-32)30-28(33)20-17-25(35-2)27(37-4)26(18-20)36-3/h8-9,12-13,16-19H,5-7,10-11,14-15H2,1-4H3,(H,30,33)/b23-16-
InChIKeyDYSMWCFRTNJBMF-KQWNVCNZSA-N
XLogP4.86
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide (CID 46262181) is N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide is CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)N2CCCCCC2)c2ccccc21.
What is the InChIKey of N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is DYSMWCFRTNJBMF-KQWNVCNZSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-5-31-19-21(22-12-8-9-13-24(22)31)16-23(29(34)32-14-10-6-7-11-15-32)30-28(33)20-17-25(35-2)27(37-4)26(18-20)36-3/h8-9,12-13,16-19H,5-7,10-11,14-15H2,1-4H3,(H,30,33)/b23-16-.
What are the key properties of N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide?
N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 505.62 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(azepan-1-yl)-1-(1-ethylindol-3-yl)-3-oxoprop-1-en-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 46262181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).