N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide

C15H18N4O3 — CID 32567639

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H18N4O3/c1-3-16-12(20)9-19(4-2)15(22)13-10-7-5-6-8-11(10)14(21)18-17-13/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyPNIXRPQZXRNZQT-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.52
Rot. Bonds5

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 32567639) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID32567639
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H18N4O3/c1-3-16-12(20)9-19(4-2)15(22)13-10-7-5-6-8-11(10)14(21)18-17-13/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyPNIXRPQZXRNZQT-UHFFFAOYSA-N
XLogP0.52
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide 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

ethyl 2-[ethyl-(4-oxo-3H-phthalazine-1-carbonyl)amino]acetate
CID 78901933
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79377425
N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186
N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 63691834
N-ethyl-4-oxo-3H-phthalazine-1-carbothioamide;hydrobromide
CID 90482849
N-methyl-N-(2-methylprop-2-enyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 115969083
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 54986422
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 43397900
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 32567639) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide is CCNC(=O)CN(CC)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is PNIXRPQZXRNZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-16-12(20)9-19(4-2)15(22)13-10-7-5-6-8-11(10)14(21)18-17-13/h5-8H,3-4,9H2,1-2H3,(H,16,20)(H,18,21).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 32567639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).