N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide

C17H22N4O2 — CID 119591824

IUPACN-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESNCC(NC(=O)c1n[nH]c(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H22N4O2/c18-10-14(11-6-2-1-3-7-11)19-17(23)15-12-8-4-5-9-13(12)16(22)21-20-15/h4-5,8-9,11,14H,1-3,6-7,10,18H2,(H,19,23)(H,21,22)
InChIKeyFQTCGACPXBQFQM-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 119591824) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID119591824
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESNCC(NC(=O)c1n[nH]c(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C17H22N4O2/c18-10-14(11-6-2-1-3-7-11)19-17(23)15-12-8-4-5-9-13(12)16(22)21-20-15/h4-5,8-9,11,14H,1-3,6-7,10,18H2,(H,19,23)(H,21,22)
InChIKeyFQTCGACPXBQFQM-UHFFFAOYSA-N
XLogP1.56
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119591831
N-(2-amino-1-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 106737709
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-(2-amino-1-cyclohexylethyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119591581
N-cyclopentyloxy-4-oxo-3H-phthalazine-1-carboxamide
CID 83202693
N-(2-amino-1-cyclohexylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119590893
N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 124698938
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-(2-amino-1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 106737632
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 119591824) is N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide is NCC(NC(=O)c1n[nH]c(=O)c2ccccc12)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is FQTCGACPXBQFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-10-14(11-6-2-1-3-7-11)19-17(23)15-12-8-4-5-9-13(12)16(22)21-20-15/h4-5,8-9,11,14H,1-3,6-7,10,18H2,(H,19,23)(H,21,22).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 119591824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).