N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide

C22H22N2O5 — CID 55801625

IUPACN-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C22H22N2O5/c1-2-28-12-6-11-23-20(25)16-8-5-9-17(13-16)24-21(26)18-14-15-7-3-4-10-19(15)29-22(18)27/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRGEYYXDYLKRTSA-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.20
Rot. Bonds8

About N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide

N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 55801625) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID55801625
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C22H22N2O5/c1-2-28-12-6-11-23-20(25)16-8-5-9-17(13-16)24-21(26)18-14-15-7-3-4-10-19(15)29-22(18)27/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRGEYYXDYLKRTSA-UHFFFAOYSA-N
XLogP3.20
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
ethyl 6-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55801513
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
N-[3-(butylcarbamoyl)phenyl]-2-(2-ethoxyethoxy)benzamide
CID 17197044
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide (CID 55801625) is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is RGEYYXDYLKRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-28-12-6-11-23-20(25)16-8-5-9-17(13-16)24-21(26)18-14-15-7-3-4-10-19(15)29-22(18)27/h3-5,7-10,13-14H,2,6,11-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 55801625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).