3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide

C21H24N4O3 — CID 75489118

IUPAC3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nnn(CC(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C21H24N4O3/c1-14(2)13-25-21(27)18-12-16(7-10-19(18)23-24-25)22-20(26)11-6-15-4-8-17(28-3)9-5-15/h4-5,7-10,12,14H,6,11,13H2,1-3H3,(H,22,26)
InChIKeyMOEZXOFJCVPULB-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.03
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide

3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide (PubChem CID 75489118) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide
PubChem CID75489118
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nnn(CC(C)C)c(=O)c3c2)cc1
InChIInChI=1S/C21H24N4O3/c1-14(2)13-25-21(27)18-12-16(7-10-19(18)23-24-25)22-20(26)11-6-15-4-8-17(28-3)9-5-15/h4-5,7-10,12,14H,6,11,13H2,1-3H3,(H,22,26)
InChIKeyMOEZXOFJCVPULB-UHFFFAOYSA-N
XLogP3.03
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
2-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 121349692
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
N-[1-(4-methoxyphenyl)propan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 121349665
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
ethyl 4-[[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxo-2-propylquinazolin-6-yl]amino]-4-oxobutanoate
CID 3201838
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide (CID 75489118) is 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide is COc1ccc(CCC(=O)Nc2ccc3nnn(CC(C)C)c(=O)c3c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide?
The InChIKey is MOEZXOFJCVPULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)13-25-21(27)18-12-16(7-10-19(18)23-24-25)22-20(26)11-6-15-4-8-17(28-3)9-5-15/h4-5,7-10,12,14H,6,11,13H2,1-3H3,(H,22,26).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide?
3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide is sourced from PubChem (CID 75489118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).