1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea

C18H25N3O2 — CID 110303954

IUPAC1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C18H25N3O2/c1-12(2)7-9-19-18(23)20-15-6-5-13-8-10-21(16(13)11-15)17(22)14-3-4-14/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H2,19,20,23)
InChIKeyXQZMKHCEVYBIOP-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.15
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea (PubChem CID 110303954) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
PubChem CID110303954
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C18H25N3O2/c1-12(2)7-9-19-18(23)20-15-6-5-13-8-10-21(16(13)11-15)17(22)14-3-4-14/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H2,19,20,23)
InChIKeyXQZMKHCEVYBIOP-UHFFFAOYSA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623518
1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
CID 110623344
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
CID 7657185
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 110623537
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea (CID 110303954) is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea is CC(C)CCNC(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea?
The InChIKey is XQZMKHCEVYBIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)7-9-19-18(23)20-15-6-5-13-8-10-21(16(13)11-15)17(22)14-3-4-14/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea?
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea has a molecular weight of 315.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 110303954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).