1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea

C16H22N2O2 — CID 111859076

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O2/c1-18(10-15(19)12-5-6-12)16(20)17-14-8-7-11-3-2-4-13(11)9-14/h7-9,12,15,19H,2-6,10H2,1H3,(H,17,20)
InChIKeyYQVAVFXNEFWHCB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea

1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea (PubChem CID 111859076) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
PubChem CID111859076
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea
SMILESCN(CC(O)C1CC1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O2/c1-18(10-15(19)12-5-6-12)16(20)17-14-8-7-11-3-2-4-13(11)9-14/h7-9,12,15,19H,2-6,10H2,1H3,(H,17,20)
InChIKeyYQVAVFXNEFWHCB-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-fluorophenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859145
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
3-(4-bromo-3-methoxyphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859315
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 111859231
1-(2-cyclopropyl-2-hydroxyethyl)-3-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-1-methylurea
CID 111859119
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(4-prop-2-ynoxyphenyl)urea
CID 71860767
2-[2,3-dihydro-1H-inden-5-ylcarbamoyl(methyl)amino]propanoic acid
CID 62638284
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859229
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132
3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 154772959
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111859309
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea (CID 111859076) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea is CN(CC(O)C1CC1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea?
The InChIKey is YQVAVFXNEFWHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(10-15(19)12-5-6-12)16(20)17-14-8-7-11-3-2-4-13(11)9-14/h7-9,12,15,19H,2-6,10H2,1H3,(H,17,20).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea has a molecular weight of 274.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,3-dihydro-1H-inden-5-yl)-1-methylurea is sourced from PubChem (CID 111859076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).