(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide

C20H21N3O3 — CID 95045989

IUPAC(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
SMILESCc1ccc(C)c(O[C@H](C)C(=O)NCc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C20H21N3O3/c1-12-8-9-13(2)18(10-12)26-14(3)19(24)21-11-17-15-6-4-5-7-16(15)20(25)23-22-17/h4-10,14H,11H2,1-3H3,(H,21,24)(H,23,25)/t14-/m1/s1
InChIKeyHRXFJWPBWOJKFQ-CQSZACIVSA-N
MW351.41 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide

(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide (PubChem CID 95045989) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
PubChem CID95045989
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
SMILESCc1ccc(C)c(O[C@H](C)C(=O)NCc2n[nH]c(=O)c3ccccc23)c1
InChIInChI=1S/C20H21N3O3/c1-12-8-9-13(2)18(10-12)26-14(3)19(24)21-11-17-15-6-4-5-7-16(15)20(25)23-22-17/h4-10,14H,11H2,1-3H3,(H,21,24)(H,23,25)/t14-/m1/s1
InChIKeyHRXFJWPBWOJKFQ-CQSZACIVSA-N
XLogP2.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 50956198
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
N-benzyl-4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4945000
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-4-propan-2-yloxybenzamide
CID 7185885
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 42968779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide (CID 95045989) is (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide is Cc1ccc(C)c(O[C@H](C)C(=O)NCc2n[nH]c(=O)c3ccccc23)c1.
What is the InChIKey of (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
The InChIKey is HRXFJWPBWOJKFQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12-8-9-13(2)18(10-12)26-14(3)19(24)21-11-17-15-6-4-5-7-16(15)20(25)23-22-17/h4-10,14H,11H2,1-3H3,(H,21,24)(H,23,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide?
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide is sourced from PubChem (CID 95045989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).