N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide

C24H24N2O5 — CID 42378536

IUPACN-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc12
InChIInChI=1S/C24H24N2O5/c1-2-4-15-12-23(28)31-21-13-19(9-10-20(15)21)30-14-22(27)25-18-6-3-5-16(11-18)24(29)26-17-7-8-17/h3,5-6,9-13,17H,2,4,7-8,14H2,1H3,(H,25,27)(H,26,29)
InChIKeyZNFCZUCLLCMYHW-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.66
Rot. Bonds8

About N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide

N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide (PubChem CID 42378536) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
PubChem CID42378536
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc12
InChIInChI=1S/C24H24N2O5/c1-2-4-15-12-23(28)31-21-13-19(9-10-20(15)21)30-14-22(27)25-18-6-3-5-16(11-18)24(29)26-17-7-8-17/h3,5-6,9-13,17H,2,4,7-8,14H2,1H3,(H,25,27)(H,26,29)
InChIKeyZNFCZUCLLCMYHW-UHFFFAOYSA-N
XLogP3.66
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353958
N-ethyl-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 26000046
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 4904725
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
(2R)-N-(3-acetylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxypropanamide
CID 30580970
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide (CID 42378536) is N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide is CCCc1cc(=O)oc2cc(OCC(=O)Nc3cccc(C(=O)NC4CC4)c3)ccc12.
What is the InChIKey of N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide?
The InChIKey is ZNFCZUCLLCMYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-2-4-15-12-23(28)31-21-13-19(9-10-20(15)21)30-14-22(27)25-18-6-3-5-16(11-18)24(29)26-17-7-8-17/h3,5-6,9-13,17H,2,4,7-8,14H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide?
N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 42378536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).