N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C23H23NO5 — CID 3170091

IUPACN-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H23NO5/c1-27-18-10-8-16(9-11-18)14-24(15-19-6-4-12-28-19)22(25)20-13-17-5-2-3-7-21(17)29-23(20)26/h2-3,5,7-11,13,19H,4,6,12,14-15H2,1H3
InChIKeyZRYNHZLONNSHFQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.62
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 3170091) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID3170091
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(CN(CC2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C23H23NO5/c1-27-18-10-8-16(9-11-18)14-24(15-19-6-4-12-28-19)22(25)20-13-17-5-2-3-7-21(17)29-23(20)26/h2-3,5,7-11,13,19H,4,6,12,14-15H2,1H3
InChIKeyZRYNHZLONNSHFQ-UHFFFAOYSA-N
XLogP3.62
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-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

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 869121
ethyl 1-(2-oxo-2H-chromene-3-carbonyl)piperidine-4-carboxylate
CID 1505053
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2356268
N-benzyl-N-ethyl-2-oxo-2H-chromene-3-carboxamide
CID 2985537
N-benzyl-7-methoxy-2-oxo-2H-chromene-3-carboxamide
CID 3164596
8-methoxy-N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 709853
2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 2840018
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 3585299
6-methoxy-N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 709850
N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 709955

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 3170091) is N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is COc1ccc(CN(CC2CCCO2)C(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is ZRYNHZLONNSHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-27-18-10-8-16(9-11-18)14-24(15-19-6-4-12-28-19)22(25)20-13-17-5-2-3-7-21(17)29-23(20)26/h2-3,5,7-11,13,19H,4,6,12,14-15H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 3170091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).