N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C18H24N4O3 — CID 56805820

IUPACN-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCOC1CCC(N(C)C(=O)CCn2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-21(13-7-9-14(25-2)10-8-13)17(23)11-12-22-18(24)15-5-3-4-6-16(15)19-20-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLTFMTHRLZZFZIF-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.60
Rot. Bonds5

About N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 56805820) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID56805820
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCOC1CCC(N(C)C(=O)CCn2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-21(13-7-9-14(25-2)10-8-13)17(23)11-12-22-18(24)15-5-3-4-6-16(15)19-20-22/h3-6,13-14H,7-12H2,1-2H3
InChIKeyLTFMTHRLZZFZIF-UHFFFAOYSA-N
XLogP1.60
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34248936
N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441642
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 60579590
N-(cyclopropylmethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propylpropanamide
CID 134061886
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51328770
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38227876
methyl (2R)-2-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanoate
CID 94797951
N-[[4-(dimethylamino)phenyl]methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55445899
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
3-[3-(2,4-dimethylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 71877279

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 56805820) is N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is COC1CCC(N(C)C(=O)CCn2nnc3ccccc3c2=O)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is LTFMTHRLZZFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21(13-7-9-14(25-2)10-8-13)17(23)11-12-22-18(24)15-5-3-4-6-16(15)19-20-22/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 56805820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).