N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide

C18H16N4O5 — CID 48735974

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H16N4O5/c23-14(9-19-15(24)10-27-11-5-2-1-3-6-11)20-13-8-4-7-12-16(13)18(26)22-21-17(12)25/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,21,25)(H,22,26)
InChIKeyADGZUSWITUDAPV-UHFFFAOYSA-N
MW368.35 g/mol
LogP0.35
Rot. Bonds6

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 48735974) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID48735974
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H16N4O5/c23-14(9-19-15(24)10-27-11-5-2-1-3-6-11)20-13-8-4-7-12-16(13)18(26)22-21-17(12)25/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,21,25)(H,22,26)
InChIKeyADGZUSWITUDAPV-UHFFFAOYSA-N
XLogP0.35
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
CID 110734458
N-(2-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 46665237
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 110734424
N-(2-tert-butylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112997501
2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 48735915
N-(2,5-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 9314105
4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
CID 48735941
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
CID 94802760
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 48735845
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 48735974) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is ADGZUSWITUDAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c23-14(9-19-15(24)10-27-11-5-2-1-3-6-11)20-13-8-4-7-12-16(13)18(26)22-21-17(12)25/h1-8H,9-10H2,(H,19,24)(H,20,23)(H,21,25)(H,22,26).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 368.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 48735974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).