1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea

C20H23N3O2 — CID 71889672

IUPAC1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)21-20(25)22-17-10-8-15(9-11-17)19(24)23-14(3)12-16-6-4-5-7-18(16)23/h4-11,13-14H,12H2,1-3H3,(H2,21,22,25)
InChIKeyQMZOBPJXAUVGLQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.81
Rot. Bonds3

About 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea

1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea (PubChem CID 71889672) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea
PubChem CID71889672
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)21-20(25)22-17-10-8-15(9-11-17)19(24)23-14(3)12-16-6-4-5-7-18(16)23/h4-11,13-14H,12H2,1-3H3,(H2,21,22,25)
InChIKeyQMZOBPJXAUVGLQ-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
N-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514855
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea (CID 71889672) is 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea?
The InChIKey is QMZOBPJXAUVGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)21-20(25)22-17-10-8-15(9-11-17)19(24)23-14(3)12-16-6-4-5-7-18(16)23/h4-11,13-14H,12H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea?
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea has a molecular weight of 337.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 71889672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).