N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide

C19H19N3O3 — CID 7185885

IUPACN-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)25-14-9-7-13(8-10-14)18(23)20-11-17-15-5-3-4-6-16(15)19(24)22-21-17/h3-10,12H,11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyJLVOCVSQMAETGZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.64
Rot. Bonds5

About N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide

N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 7185885) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID7185885
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-12(2)25-14-9-7-13(8-10-14)18(23)20-11-17-15-5-3-4-6-16(15)19(24)22-21-17/h3-10,12H,11H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyJLVOCVSQMAETGZ-UHFFFAOYSA-N
XLogP2.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 18583495
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
4-[(3-propan-2-yloxyphenyl)methyl]-2H-phthalazin-1-one
CID 82371112
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N'-(2,2-dimethoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 27440534
N-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]-4-propan-2-yloxybenzamide
CID 121049532
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
CID 121048410
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 50815790

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide (CID 7185885) is N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is JLVOCVSQMAETGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)25-14-9-7-13(8-10-14)18(23)20-11-17-15-5-3-4-6-16(15)19(24)22-21-17/h3-10,12H,11H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide?
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7185885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).