1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea

C17H25N3O2 — CID 110776055

IUPAC1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCc1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C17H25N3O2/c1-11(2)19-16(22)18-9-8-12-6-7-14-13(10-12)17(3,4)15(21)20(14)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,19,22)
InChIKeyWJBWDQYXFNOSOW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.19
Rot. Bonds4

About 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea

1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea (PubChem CID 110776055) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea
PubChem CID110776055
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCc1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C17H25N3O2/c1-11(2)19-16(22)18-9-8-12-6-7-14-13(10-12)17(3,4)15(21)20(14)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,19,22)
InChIKeyWJBWDQYXFNOSOW-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]cyclopropanecarboxamide
CID 110790327
N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]pentanamide
CID 110790328
2-thiophen-2-yl-N-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]acetamide
CID 110790343
5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82475607
N-(3-methoxypropyl)-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110771006
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518700
3-thiophen-2-yl-N-[(1,3,3-trimethyl-2-oxoindol-5-yl)methyl]propanamide
CID 110784091
N-(3-hydroxypropyl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 98020122
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797
1-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775263

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea?
The IUPAC name of 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea (CID 110776055) is 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea is CC(C)NC(=O)NCCc1ccc2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea?
The InChIKey is WJBWDQYXFNOSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11(2)19-16(22)18-9-8-12-6-7-14-13(10-12)17(3,4)15(21)20(14)5/h6-7,10-11H,8-9H2,1-5H3,(H2,18,19,22).
What are the key properties of 1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea?
1-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea has a molecular weight of 303.41 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-propan-2-yl-3-[2-(1,3,3-trimethyl-2-oxoindol-5-yl)ethyl]urea is sourced from PubChem (CID 110776055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).