N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide

C23H23N3O3 — CID 71780311

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(=O)c2ccccc2o1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-25(2)19(17-14-26(3)18-10-6-4-8-15(17)18)13-24-23(28)22-12-20(27)16-9-5-7-11-21(16)29-22/h4-12,14,19H,13H2,1-3H3,(H,24,28)
InChIKeyBSJSOQVXASUXLC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 71780311) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID71780311
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(=O)c2ccccc2o1)c1cn(C)c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-25(2)19(17-14-26(3)18-10-6-4-8-15(17)18)13-24-23(28)22-12-20(27)16-9-5-7-11-21(16)29-22/h4-12,14,19H,13H2,1-3H3,(H,24,28)
InChIKeyBSJSOQVXASUXLC-UHFFFAOYSA-N
XLogP3.32
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide 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

N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 93486038
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 119056801
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35575343
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90490816
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide (CID 71780311) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide is CN(C)C(CNC(=O)c1cc(=O)c2ccccc2o1)c1cn(C)c2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is BSJSOQVXASUXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-25(2)19(17-14-26(3)18-10-6-4-8-15(17)18)13-24-23(28)22-12-20(27)16-9-5-7-11-21(16)29-22/h4-12,14,19H,13H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 71780311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).