1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea

C16H23N3O2 — CID 53090025

IUPAC1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
SMILESCCC(=O)N1CCc2cc(CNC(=O)NC(C)C)ccc21
InChIInChI=1S/C16H23N3O2/c1-4-15(20)19-8-7-13-9-12(5-6-14(13)19)10-17-16(21)18-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,17,18,21)
InChIKeyJUJFYQVTHVYQLI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.19
Rot. Bonds4

About 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea

1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea (PubChem CID 53090025) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
PubChem CID53090025
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
SMILESCCC(=O)N1CCc2cc(CNC(=O)NC(C)C)ccc21
InChIInChI=1S/C16H23N3O2/c1-4-15(20)19-8-7-13-9-12(5-6-14(13)19)10-17-16(21)18-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,17,18,21)
InChIKeyJUJFYQVTHVYQLI-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
1-(1,3-benzodioxol-5-yl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53090017
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-propan-2-ylurea
CID 53099492
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea (CID 53090025) is 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea is CCC(=O)N1CCc2cc(CNC(=O)NC(C)C)ccc21.
What is the InChIKey of 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea?
The InChIKey is JUJFYQVTHVYQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-15(20)19-8-7-13-9-12(5-6-14(13)19)10-17-16(21)18-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea?
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea has a molecular weight of 289.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 53090025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).