1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C18H28N2O3 — CID 111542818

IUPAC1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOC(CCNC(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)C
InChIInChI=1S/C18H28N2O3/c1-4-23-16(12(2)3)9-10-19-18(22)20-17-14-8-6-5-7-13(14)11-15(17)21/h5-8,12,15-17,21H,4,9-11H2,1-3H3,(H2,19,20,22)/t15-,16?,17+/m1/s1
InChIKeyLKUZHAPVHYIWRO-SKQWJGTPSA-N
MW320.43 g/mol
LogP2.40
Rot. Bonds7

About 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 111542818) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID111542818
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCOC(CCNC(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)C
InChIInChI=1S/C18H28N2O3/c1-4-23-16(12(2)3)9-10-19-18(22)20-17-14-8-6-5-7-13(14)11-15(17)21/h5-8,12,15-17,21H,4,9-11H2,1-3H3,(H2,19,20,22)/t15-,16?,17+/m1/s1
InChIKeyLKUZHAPVHYIWRO-SKQWJGTPSA-N
XLogP2.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea with MolForge

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(3-methylbutoxy)ethyl]urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923399
1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895956
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine
CID 111717478
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-[2-[butyl(methyl)amino]ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111121310
2-ethoxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 136518623
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131
1-(3-ethoxy-4-methylpentyl)-3-(2-hydroxycyclohexyl)urea
CID 111542825
N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]ethyl]-4-methylbenzamide
CID 136525095

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 111542818) is 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CCOC(CCNC(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)C.
What is the InChIKey of 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is LKUZHAPVHYIWRO-SKQWJGTPSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-23-16(12(2)3)9-10-19-18(22)20-17-14-8-6-5-7-13(14)11-15(17)21/h5-8,12,15-17,21H,4,9-11H2,1-3H3,(H2,19,20,22)/t15-,16?,17+/m1/s1.
What are the key properties of 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 111542818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).