N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide

C19H25N3O3 — CID 94489587

IUPACN-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-4-21(12-14-8-7-11-25-14)19(24)17-15-9-5-6-10-16(15)18(23)22(20-17)13(2)3/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyUPMGVYDTVFFIHY-CQSZACIVSA-N
MW343.43 g/mol
LogP2.62
Rot. Bonds5

About N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide

N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 94489587) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID94489587
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-4-21(12-14-8-7-11-25-14)19(24)17-15-9-5-6-10-16(15)18(23)22(20-17)13(2)3/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3/t14-/m1/s1
InChIKeyUPMGVYDTVFFIHY-CQSZACIVSA-N
XLogP2.62
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(oxolan-2-ylmethyl)-3-propan-2-yl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 55389136
3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide
CID 51966517
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51091584
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
CID 51082580
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
N-ethyl-1-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 125168089
N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 99948704
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179617
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76904091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide (CID 94489587) is N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide is CCN(C[C@H]1CCCO1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is UPMGVYDTVFFIHY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-21(12-14-8-7-11-25-14)19(24)17-15-9-5-6-10-16(15)18(23)22(20-17)13(2)3/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide?
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 94489587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).