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

C16H24N2O2 — CID 91631367

IUPAC1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCOC1(CNC(=O)NC(C)(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H24N2O2/c1-15(2,3)18-14(19)17-11-16(20-4)9-12-7-5-6-8-13(12)10-16/h5-8H,9-11H2,1-4H3,(H2,17,18,19)
InChIKeyRVFPZYCMGFKPMX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.27
Rot. Bonds3

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

1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea (PubChem CID 91631367) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
PubChem CID91631367
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCOC1(CNC(=O)NC(C)(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H24N2O2/c1-15(2,3)18-14(19)17-11-16(20-4)9-12-7-5-6-8-13(12)10-16/h5-8H,9-11H2,1-4H3,(H2,17,18,19)
InChIKeyRVFPZYCMGFKPMX-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)urea
CID 71782213
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
4,4,4-trifluoro-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)butanamide
CID 92125788
1-(4-fluorobenzyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 92126010
2-[(2-Methoxyethylamino)methyl]-1,3-dihydroinden-2-ol
CID 62773374
1-[(1-Hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(2-methoxy-2-methylpropyl)urea
CID 75387842
1-(2-Methyl-1,3-dihydroinden-2-yl)-3-[2-(oxolan-2-ylmethoxy)ethyl]urea
CID 75438894

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea (CID 91631367) is 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea is COC1(CNC(=O)NC(C)(C)C)Cc2ccccc2C1.
What is the InChIKey of 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The InChIKey is RVFPZYCMGFKPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)18-14(19)17-11-16(20-4)9-12-7-5-6-8-13(12)10-16/h5-8H,9-11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea has a molecular weight of 276.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea is sourced from PubChem (CID 91631367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).