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

C19H19NO3 — CID 70238152

IUPACmethyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H19NO3/c1-23-19(22)20-18(21)12-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,20,21,22)
InChIKeyPBRQPZPGTBQZGH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.19
Rot. Bonds2

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

methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate (PubChem CID 70238152) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate
PubChem CID70238152
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H19NO3/c1-23-19(22)20-18(21)12-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,20,21,22)
InChIKeyPBRQPZPGTBQZGH-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate with MolForge

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Related Compounds

N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 26328293
methyl 2-(5,6-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate
CID 83985359
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
methyl N-[2-(1,3-dioxo-2-propyl-4H-isoquinolin-4-yl)acetyl]carbamate
CID 10448574
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethanone
CID 26394370
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
methyl 2-[(2Z)-2-(hydroxymethylidene)-1,3-dihydroinden-1-yl]acetate
CID 23567246
4-hydroxy-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)butanamide
CID 21402974
methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
CID 86955196

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate?
The IUPAC name of methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate (CID 70238152) is methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate?
The canonical SMILES for methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate is COC(=O)NC(=O)CC1c2ccccc2CCc2ccccc21.
What is the InChIKey of methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate?
The InChIKey is PBRQPZPGTBQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-19(22)20-18(21)12-17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,20,21,22).
What are the key properties of methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate?
methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate is sourced from PubChem (CID 70238152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).