N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide

C21H19N3O6 — CID 56573237

IUPACN-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C21H19N3O6/c22-18(25)9-10-23-21(28)15-3-1-2-4-16(15)24-19(26)12-29-14-7-5-13-6-8-20(27)30-17(13)11-14/h1-8,11H,9-10,12H2,(H2,22,25)(H,23,28)(H,24,26)
InChIKeyNYRACXDWUPMFAX-UHFFFAOYSA-N
MW409.40 g/mol
LogP1.42
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide

N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide (PubChem CID 56573237) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
PubChem CID56573237
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C21H19N3O6/c22-18(25)9-10-23-21(28)15-3-1-2-4-16(15)24-19(26)12-29-14-7-5-13-6-8-20(27)30-17(13)11-14/h1-8,11H,9-10,12H2,(H2,22,25)(H,23,28)(H,24,26)
InChIKeyNYRACXDWUPMFAX-UHFFFAOYSA-N
XLogP1.42
TPSA140.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 46421125
N-(3-amino-3-oxopropyl)-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzamide
CID 56573020
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 56516276
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4946012
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41320310

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide (CID 56573237) is N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide is NC(=O)CCNC(=O)c1ccccc1NC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
The InChIKey is NYRACXDWUPMFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c22-18(25)9-10-23-21(28)15-3-1-2-4-16(15)24-19(26)12-29-14-7-5-13-6-8-20(27)30-17(13)11-14/h1-8,11H,9-10,12H2,(H2,22,25)(H,23,28)(H,24,26).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide has a molecular weight of 409.40 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 56573237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).