3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide

C19H24N4O3 — CID 24632547

IUPAC3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESCCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C19H24N4O3/c1-2-22(13-8-4-3-5-9-13)16(24)12-23-19(26)15-11-7-6-10-14(15)17(21-23)18(20)25/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,20,25)
InChIKeyAVJRITCOKYCMDX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.68
Rot. Bonds5

About 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide

3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 24632547) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
PubChem CID24632547
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
SMILESCCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C19H24N4O3/c1-2-22(13-8-4-3-5-9-13)16(24)12-23-19(26)15-11-7-6-10-14(15)17(21-23)18(20)25/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,20,25)
InChIKeyAVJRITCOKYCMDX-UHFFFAOYSA-N
XLogP1.68
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190191
3-[2-(dicyclohexylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394131
3-[2-(cycloheptylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 4963609
3-[2-(N-cyclohexylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539167
3-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 3937702
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9489790
(2S)-4-[2-(4-carbamoyl-1-oxophthalazin-2-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41022772
N-cyclopropyl-N-(4-methylcyclohexyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55594846
N-cyclohexyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethylpropanamide
CID 24632559
3-(cyclopentylmethyl)-4-oxophthalazine-1-carboxylic acid
CID 61342452
N-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide (CID 24632547) is 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide is CCN(C(=O)Cn1nc(C(N)=O)c2ccccc2c1=O)C1CCCCC1.
What is the InChIKey of 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is AVJRITCOKYCMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-22(13-8-4-3-5-9-13)16(24)12-23-19(26)15-11-7-6-10-14(15)17(21-23)18(20)25/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,20,25).
What are the key properties of 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide?
3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 24632547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).