1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea

C15H22N2O3 — CID 111508614

IUPAC1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-15(2,20-3)9-16-14(19)17-13-11-7-5-4-6-10(11)8-12(13)18/h4-7,12-13,18H,8-9H2,1-3H3,(H2,16,17,19)/t12-,13+/m0/s1
InChIKeyBAFBVXSWJHBISH-QWHCGFSZSA-N
MW278.35 g/mol
LogP1.37
Rot. Bonds4

About 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea (PubChem CID 111508614) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
PubChem CID111508614
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea
SMILESCOC(C)(C)CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-15(2,20-3)9-16-14(19)17-13-11-7-5-4-6-10(11)8-12(13)18/h4-7,12-13,18H,8-9H2,1-3H3,(H2,16,17,19)/t12-,13+/m0/s1
InChIKeyBAFBVXSWJHBISH-QWHCGFSZSA-N
XLogP1.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111121271
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 110894801
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
CID 136580821
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933487

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
The IUPAC name of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea (CID 111508614) is 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea.
What is the SMILES notation for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
The canonical SMILES for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea is COC(C)(C)CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
The InChIKey is BAFBVXSWJHBISH-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,20-3)9-16-14(19)17-13-11-7-5-4-6-10(11)8-12(13)18/h4-7,12-13,18H,8-9H2,1-3H3,(H2,16,17,19)/t12-,13+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea?
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methoxy-2-methylpropyl)urea is sourced from PubChem (CID 111508614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).