N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C20H29N5O2 — CID 60579590

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCN(CCN(C)C1CCCCC1)C(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C20H29N5O2/c1-23(16-8-4-3-5-9-16)14-15-24(2)19(26)12-13-25-20(27)17-10-6-7-11-18(17)21-22-25/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3
InChIKeySFQBPQKOQAEKPU-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.90
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 60579590) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID60579590
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCN(CCN(C)C1CCCCC1)C(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C20H29N5O2/c1-23(16-8-4-3-5-9-16)14-15-24(2)19(26)12-13-25-20(27)17-10-6-7-11-18(17)21-22-25/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3
InChIKeySFQBPQKOQAEKPU-UHFFFAOYSA-N
XLogP1.90
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(4-methoxycyclohexyl)-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56805820
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51328770
N-(cyclopropylmethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propylpropanamide
CID 134061886
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
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39442300
N-(2,3-dimethylcyclohexyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 23988000
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398
N-[[4-(dimethylamino)phenyl]methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55445899
3-[3-oxo-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one
CID 46531598

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 60579590) is N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is CN(CCN(C)C1CCCCC1)C(=O)CCn1nnc2ccccc2c1=O.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is SFQBPQKOQAEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-23(16-8-4-3-5-9-16)14-15-24(2)19(26)12-13-25-20(27)17-10-6-7-11-18(17)21-22-25/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 371.49 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 60579590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).