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

C18H17N3O2 — CID 27848904

IUPACN-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)21(2)18(23)16-14-10-6-7-11-15(14)17(22)20-19-16/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyNPJKHBDODNYACS-LBPRGKRZSA-N
MW307.35 g/mol
LogP2.76
Rot. Bonds3

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

N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide (PubChem CID 27848904) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide
PubChem CID27848904
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)21(2)18(23)16-14-10-6-7-11-15(14)17(22)20-19-16/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyNPJKHBDODNYACS-LBPRGKRZSA-N
XLogP2.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide (CID 27848904) is N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide is C[C@@H](c1ccccc1)N(C)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide?
The InChIKey is NPJKHBDODNYACS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(13-8-4-3-5-9-13)21(2)18(23)16-14-10-6-7-11-15(14)17(22)20-19-16/h3-12H,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide?
N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-[(1S)-1-phenylethyl]-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 27848904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).