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

C18H22N4O4 — CID 48735915

IUPAC2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
SMILESO=C(CC1CCCCC1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H22N4O4/c23-14(9-11-5-2-1-3-6-11)19-10-15(24)20-13-8-4-7-12-16(13)18(26)22-21-17(12)25/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyRAAIWKICMZTYJW-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.24
Rot. Bonds5

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

2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide (PubChem CID 48735915) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
PubChem CID48735915
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
SMILESO=C(CC1CCCCC1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H22N4O4/c23-14(9-11-5-2-1-3-6-11)19-10-15(24)20-13-8-4-7-12-16(13)18(26)22-21-17(12)25/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyRAAIWKICMZTYJW-UHFFFAOYSA-N
XLogP1.24
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide 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-[(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
1-cyclopentyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]piperidine-2-carboxamide
CID 167915311
N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48735822
4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
CID 48735941
2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
CID 79842932
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302
tert-butyl (2S)-2-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 95284264
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
N-[3-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 49492296
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide;hydrochloride
CID 119767800
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide (CID 48735915) is 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide is O=C(CC1CCCCC1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is RAAIWKICMZTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-14(9-11-5-2-1-3-6-11)19-10-15(24)20-13-8-4-7-12-16(13)18(26)22-21-17(12)25/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 48735915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).