1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea

C15H22N2O3 — CID 91631368

IUPAC1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC1(OC)Cc2ccccc2C1
InChIInChI=1S/C15H22N2O3/c1-19-8-7-16-14(18)17-11-15(20-2)9-12-5-3-4-6-13(12)10-15/h3-6H,7-11H2,1-2H3,(H2,16,17,18)
InChIKeySZTXNCZJNJJJGO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.12
Rot. Bonds6

About 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea

1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea (PubChem CID 91631368) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea
PubChem CID91631368
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC1(OC)Cc2ccccc2C1
InChIInChI=1S/C15H22N2O3/c1-19-8-7-16-14(18)17-11-15(20-2)9-12-5-3-4-6-13(12)10-15/h3-6H,7-11H2,1-2H3,(H2,16,17,18)
InChIKeySZTXNCZJNJJJGO-UHFFFAOYSA-N
XLogP1.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl ((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)carbamate
CID 91631159
1-benzyl-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631247
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-oxoimidazolidine-1-carboxamide
CID 91631319
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631365
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
4,4,4-trifluoro-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125788
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 92125984
1-(4-fluorobenzyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 92126010
2,3-dihydro-1H-inden-2-yl N-pentylcarbamate
CID 21259242
2,3-dihydro-1H-inden-2-yl N-hexylcarbamate
CID 21259488

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea (CID 91631368) is 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCC1(OC)Cc2ccccc2C1.
What is the InChIKey of 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea?
The InChIKey is SZTXNCZJNJJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-8-7-16-14(18)17-11-15(20-2)9-12-5-3-4-6-13(12)10-15/h3-6H,7-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea?
1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 91631368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).