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

C24H21N3O3 — CID 60517905

IUPAC4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ccc(OCc2ccccc2)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O3/c28-23-21-9-5-4-8-20(21)22(26-27-23)24(29)25-15-14-17-10-12-19(13-11-17)30-16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,29)(H,27,28)
InChIKeyIWTZTTAMADXCHA-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.47
Rot. Bonds7

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

4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide (PubChem CID 60517905) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
PubChem CID60517905
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide
SMILESO=C(NCCc1ccc(OCc2ccccc2)cc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H21N3O3/c28-23-21-9-5-4-8-20(21)22(26-27-23)24(29)25-15-14-17-10-12-19(13-11-17)30-16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,29)(H,27,28)
InChIKeyIWTZTTAMADXCHA-UHFFFAOYSA-N
XLogP3.47
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 42889391
N-[2-(1H-imidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 115619996
N-[2-(furan-2-carbonylamino)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24683439
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
N-[2-(1H-indol-3-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17418655
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60552718
N-[(3-butoxyphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 60517201
2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 47043404
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 55847244
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide (CID 60517905) is 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide is O=C(NCCc1ccc(OCc2ccccc2)cc1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide?
The InChIKey is IWTZTTAMADXCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23-21-9-5-4-8-20(21)22(26-27-23)24(29)25-15-14-17-10-12-19(13-11-17)30-16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,29)(H,27,28).
What are the key properties of 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide?
4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 60517905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).