3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea

C16H22N2O3 — CID 133122746

IUPAC3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea
SMILESCCN(C(=O)Nc1cccc2c1CCC2)[C@@H]1COC[C@H]1O
InChIInChI=1S/C16H22N2O3/c1-2-18(14-9-21-10-15(14)19)16(20)17-13-8-4-6-11-5-3-7-12(11)13/h4,6,8,14-15,19H,2-3,5,7,9-10H2,1H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyXDDPCEYDMOCBGV-HUUCEWRRSA-N
MW290.36 g/mol
LogP1.79
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea

3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea (PubChem CID 133122746) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea
PubChem CID133122746
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea
SMILESCCN(C(=O)Nc1cccc2c1CCC2)[C@@H]1COC[C@H]1O
InChIInChI=1S/C16H22N2O3/c1-2-18(14-9-21-10-15(14)19)16(20)17-13-8-4-6-11-5-3-7-12(11)13/h4,6,8,14-15,19H,2-3,5,7,9-10H2,1H3,(H,17,20)/t14-,15-/m1/s1
InChIKeyXDDPCEYDMOCBGV-HUUCEWRRSA-N
XLogP1.79
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-cyclopropyl-1-(oxolan-3-ylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47032244
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
N-[3-[[ethyl-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamoyl]amino]-4-fluorophenyl]propanamide
CID 72931622
4-[ethyl-[(2-fluorophenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246238
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
1-ethyl-1-[(3S,4R)-4-hydroxyoxolan-3-yl]-3-[4-(thiophen-2-ylmethoxy)phenyl]urea
CID 118792220
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
1-(3-hydroxybutyl)-1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 111578848
N-propyl-2,3-dihydro-1H-inden-4-amine
CID 129164369
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
S-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propyl] ethanethioate
CID 88670492

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea?
The IUPAC name of 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea (CID 133122746) is 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea is CCN(C(=O)Nc1cccc2c1CCC2)[C@@H]1COC[C@H]1O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea?
The InChIKey is XDDPCEYDMOCBGV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-18(14-9-21-10-15(14)19)16(20)17-13-8-4-6-11-5-3-7-12(11)13/h4,6,8,14-15,19H,2-3,5,7,9-10H2,1H3,(H,17,20)/t14-,15-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea?
3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea has a molecular weight of 290.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-4-yl)-1-ethyl-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea is sourced from PubChem (CID 133122746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).