N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide

C19H20N4O2 — CID 29479645

IUPACN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-23(2)12-16(13-8-4-3-5-9-13)20-19(25)17-14-10-6-7-11-15(14)18(24)22-21-17/h3-11,16H,12H2,1-2H3,(H,20,25)(H,22,24)/t16-/m0/s1
InChIKeySUWIISCKIOAHBK-INIZCTEOSA-N
MW336.40 g/mol
LogP1.96
Rot. Bonds5

About N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 29479645) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID29479645
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-23(2)12-16(13-8-4-3-5-9-13)20-19(25)17-14-10-6-7-11-15(14)18(24)22-21-17/h3-11,16H,12H2,1-2H3,(H,20,25)(H,22,24)/t16-/m0/s1
InChIKeySUWIISCKIOAHBK-INIZCTEOSA-N
XLogP1.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31355541
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8936937
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094
4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606092
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
CID 91774680
3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 138041211
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 29479645) is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide is CN(C)C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is SUWIISCKIOAHBK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23(2)12-16(13-8-4-3-5-9-13)20-19(25)17-14-10-6-7-11-15(14)18(24)22-21-17/h3-11,16H,12H2,1-2H3,(H,20,25)(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 29479645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).