N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide

C19H19N3O2 — CID 31355541

IUPACN-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-12(2)16(13-8-4-3-5-9-13)20-19(24)17-14-10-6-7-11-15(14)18(23)22-21-17/h3-12,16H,1-2H3,(H,20,24)(H,22,23)/t16-/m0/s1
InChIKeyZNZAMAWWKKMLCO-INIZCTEOSA-N
MW321.38 g/mol
LogP3.05
Rot. Bonds4

About N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 31355541) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID31355541
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(C)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-12(2)16(13-8-4-3-5-9-13)20-19(24)17-14-10-6-7-11-15(14)18(23)22-21-17/h3-12,16H,1-2H3,(H,20,24)(H,22,23)/t16-/m0/s1
InChIKeyZNZAMAWWKKMLCO-INIZCTEOSA-N
XLogP3.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29479645
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-[1-(methylamino)-1-oxopropan-2-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 47342650
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020
4-oxo-N-(1-thiophen-3-ylethyl)-3H-phthalazine-1-carboxamide
CID 62843922
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 138041211

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 31355541) is N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide is CC(C)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is ZNZAMAWWKKMLCO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)16(13-8-4-3-5-9-13)20-19(24)17-14-10-6-7-11-15(14)18(23)22-21-17/h3-12,16H,1-2H3,(H,20,24)(H,22,23)/t16-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 31355541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).