N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide

C15H18N2O3 — CID 43601604

IUPACN-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
SMILESCCNCCCNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H18N2O3/c1-2-16-8-5-9-17-15(19)14-10-12(18)11-6-3-4-7-13(11)20-14/h3-4,6-7,10,16H,2,5,8-9H2,1H3,(H,17,19)
InChIKeyVFWCJWJKESQBAN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.52
Rot. Bonds6

About N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide

N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide (PubChem CID 43601604) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
PubChem CID43601604
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
SMILESCCNCCCNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H18N2O3/c1-2-16-8-5-9-17-15(19)14-10-12(18)11-6-3-4-7-13(11)20-14/h3-4,6-7,10,16H,2,5,8-9H2,1H3,(H,17,19)
InChIKeyVFWCJWJKESQBAN-UHFFFAOYSA-N
XLogP1.52
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(ethylamino)propyl]-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-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
CID 90541527
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
CID 103713082
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
diethyl-[(4S)-4-[(4-oxochromene-2-carbonyl)amino]pentyl]azanium
CID 2374163
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 17494612
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide (CID 43601604) is N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide is CCNCCCNC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide?
The InChIKey is VFWCJWJKESQBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-16-8-5-9-17-15(19)14-10-12(18)11-6-3-4-7-13(11)20-14/h3-4,6-7,10,16H,2,5,8-9H2,1H3,(H,17,19).
What are the key properties of N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide?
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 43601604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).