3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

C19H25N3O3 — CID 75414860

IUPAC3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESCC(=O)N1CCc2cc(NC(=O)N(CC3CCOC3)C3CC3)ccc21
InChIInChI=1S/C19H25N3O3/c1-13(23)21-8-6-15-10-16(2-5-18(15)21)20-19(24)22(17-3-4-17)11-14-7-9-25-12-14/h2,5,10,14,17H,3-4,6-9,11-12H2,1H3,(H,20,24)
InChIKeyWOQHCLDHWANILT-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.63
Rot. Bonds4

About 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea

3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 75414860) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
PubChem CID75414860
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
SMILESCC(=O)N1CCc2cc(NC(=O)N(CC3CCOC3)C3CC3)ccc21
InChIInChI=1S/C19H25N3O3/c1-13(23)21-8-6-15-10-16(2-5-18(15)21)20-19(24)22(17-3-4-17)11-14-7-9-25-12-14/h2,5,10,14,17H,3-4,6-9,11-12H2,1H3,(H,20,24)
InChIKeyWOQHCLDHWANILT-UHFFFAOYSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684646
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminooxolane-3-carboxamide
CID 66240222
(2R)-N-[4-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 95767363
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
N-(1-acetyl-2,3-dihydroindol-5-yl)adamantane-1-carboxamide
CID 17467776
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 39952143
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
1-[5-[(2-methyloxolan-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 82727443
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea (CID 75414860) is 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is CC(=O)N1CCc2cc(NC(=O)N(CC3CCOC3)C3CC3)ccc21.
What is the InChIKey of 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is WOQHCLDHWANILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(23)21-8-6-15-10-16(2-5-18(15)21)20-19(24)22(17-3-4-17)11-14-7-9-25-12-14/h2,5,10,14,17H,3-4,6-9,11-12H2,1H3,(H,20,24).
What are the key properties of 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea?
3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-2,3-dihydroindol-5-yl)-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 75414860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).