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

C16H24N2O3 — CID 110923399

IUPAC1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCCCOCCNC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C16H24N2O3/c1-2-3-9-21-10-8-17-16(20)18-15-13-7-5-4-6-12(13)11-14(15)19/h4-7,14-15,19H,2-3,8-11H2,1H3,(H2,17,18,20)/t14-,15+/m1/s1
InChIKeyMEKDNUYGJLQZFB-CABCVRRESA-N
MW292.38 g/mol
LogP1.76
Rot. Bonds7

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

1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110923399) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110923399
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCCCCOCCNC(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C16H24N2O3/c1-2-3-9-21-10-8-17-16(20)18-15-13-7-5-4-6-12(13)11-14(15)19/h4-7,14-15,19H,2-3,8-11H2,1H3,(H2,17,18,20)/t14-,15+/m1/s1
InChIKeyMEKDNUYGJLQZFB-CABCVRRESA-N
XLogP1.76
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[2-(3-methylbutoxy)ethyl]urea
CID 110908580
1-[2-[butyl(methyl)amino]ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111121310
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
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-phenylethyl)urea
CID 75266020
1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111542818
N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
CID 136580821
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 110933487
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-propoxyacetamide
CID 111696445
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 110904213
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895027
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-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110923399) is 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CCCCOCCNC(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is MEKDNUYGJLQZFB-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-3-9-21-10-8-17-16(20)18-15-13-7-5-4-6-12(13)11-14(15)19/h4-7,14-15,19H,2-3,8-11H2,1H3,(H2,17,18,20)/t14-,15+/m1/s1.
What are the key properties of 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110923399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).