N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C19H25N3O3 — CID 166214999

IUPACN-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCON(CC1CCCC(C)C1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-13-6-5-7-14(10-13)12-22(25-2)18(23)11-17-15-8-3-4-9-16(15)19(24)21-20-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,21,24)
InChIKeyBCMLWZCNJWKOML-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.68
Rot. Bonds5

About N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 166214999) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID166214999
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCON(CC1CCCC(C)C1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H25N3O3/c1-13-6-5-7-14(10-13)12-22(25-2)18(23)11-17-15-8-3-4-9-16(15)19(24)21-20-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,21,24)
InChIKeyBCMLWZCNJWKOML-UHFFFAOYSA-N
XLogP2.68
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Olaparib
CID 23725625
Azd-2461
CID 44199317
Talastine
CID 65624
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
4-({3-[(4-Acetyl-1,4-diazepan-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25132610
4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
4-({4-Fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133631
4-({3-[(4-Ethylpiperazin-1-yl)carbonyl]-4-fluorophenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133632
4-({4-Fluoro-3-[(4-propylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133633
4-[(3-{[4-(Cyclopropylmethyl)piperazin-1-yl]carbonyl}-4-fluorophenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25133974
4-(3-(4-Acetylpiperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one
CID 25133975
4-({4-Fluoro-3-[(4-propanoylpiperazin-1-yl)carbonyl]phenyl}methyl)-1,2-dihydrophthalazin-1-one
CID 25133976

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 166214999) is N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CON(CC1CCCC(C)C1)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is BCMLWZCNJWKOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-6-5-7-14(10-13)12-22(25-2)18(23)11-17-15-8-3-4-9-16(15)19(24)21-20-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,21,24).
What are the key properties of N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[(3-methylcyclohexyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 166214999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).