2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide

C21H26N2O — CID 45489070

IUPAC2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H26N2O/c1-15(2)22-20(24)14-23(3)21-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)21/h4-11,15,21H,12-14H2,1-3H3,(H,22,24)
InChIKeyDXBNVHBVHZKZHL-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.33
Rot. Bonds4

About 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide

2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide (PubChem CID 45489070) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide
PubChem CID45489070
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H26N2O/c1-15(2)22-20(24)14-23(3)21-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)21/h4-11,15,21H,12-14H2,1-3H3,(H,22,24)
InChIKeyDXBNVHBVHZKZHL-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide 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

Remacemide Hydrochloride
CID 60510
Remacemide
CID 60511
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
N,N'-Dibenzyloxamide
CID 219253
L-Alanyl-L-valyl-N-(diphenylmethyl)-L-prolinamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
Ksp-IA
CID 24901494
N~2~-(cyclohexylcarbonyl)-N-(1-phenylethyl)leucinamide
CID 16003816
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182
1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine
CID 2735936

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide (CID 45489070) is 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide?
The InChIKey is DXBNVHBVHZKZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)22-20(24)14-23(3)21-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)21/h4-11,15,21H,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide?
2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide has a molecular weight of 322.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 45489070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).