1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea

C13H19N3O2 — CID 83114594

IUPAC1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCCn1ccc2c1CCCC2=O
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)14-7-9-16-8-6-10-11(16)4-3-5-12(10)17/h6,8H,3-5,7,9H2,1-2H3,(H,14,18)
InChIKeyUHLSFXJRPNHFAT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.28
Rot. Bonds3

About 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea

1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea (PubChem CID 83114594) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
PubChem CID83114594
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea
SMILESCN(C)C(=O)NCCn1ccc2c1CCCC2=O
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)14-7-9-16-8-6-10-11(16)4-3-5-12(10)17/h6,8H,3-5,7,9H2,1-2H3,(H,14,18)
InChIKeyUHLSFXJRPNHFAT-UHFFFAOYSA-N
XLogP1.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-glyoxylamide, N-isopropyl-1-methyl-
CID 41501
2-(1H-Indol-3-yl)-N,N-dimethyl-2-oxo-acetamide
CID 34471
N-Ethyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 41500
5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide
CID 11246027
Pkn1/2-IN-1
CID 23585102
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 3149449
2-(1-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
1,5,6,7-Tetrahydro-4H-indol-4-one
CID 280229
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194
N-[3-(dimethylamino)propyl]-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 3553672
6-cyclohexyl-7-[(4-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3238287

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea (CID 83114594) is 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea is CN(C)C(=O)NCCn1ccc2c1CCCC2=O.
What is the InChIKey of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
The InChIKey is UHLSFXJRPNHFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)13(18)14-7-9-16-8-6-10-11(16)4-3-5-12(10)17/h6,8H,3-5,7,9H2,1-2H3,(H,14,18).
What are the key properties of 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea?
1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea has a molecular weight of 249.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(4-oxo-6,7-dihydro-5H-indol-1-yl)ethyl]urea is sourced from PubChem (CID 83114594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).