1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide

C26H30N2O3 — CID 175443202

IUPAC1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cccc(C3CC3)c2)CCOCC1
InChIInChI=1S/C26H30N2O3/c1-25(2)21-16-19(23(29)27-26(3)11-13-31-14-12-26)9-10-22(21)28(24(25)30)20-6-4-5-18(15-20)17-7-8-17/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3,(H,27,29)
InChIKeyZYVXTUXSHXJWPG-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.82
Rot. Bonds4

About 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide

1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide (PubChem CID 175443202) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
PubChem CID175443202
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
SMILESCC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cccc(C3CC3)c2)CCOCC1
InChIInChI=1S/C26H30N2O3/c1-25(2)21-16-19(23(29)27-26(3)11-13-31-14-12-26)9-10-22(21)28(24(25)30)20-6-4-5-18(15-20)17-7-8-17/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3,(H,27,29)
InChIKeyZYVXTUXSHXJWPG-UHFFFAOYSA-N
XLogP4.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylphenyl)-3,3-dimethyl-5-[3-(4-methyl-1,1-dioxothian-4-yl)propanoyl]indol-2-one
CID 164971054
1-[2-(difluoromethoxy)-5-fluoro-4-pyridinyl]-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide
CID 175443288
1'-[3-(difluoromethoxy)phenyl]-N-(3-methyloxathiolan-3-yl)-2'-oxospiro[cyclobutane-1,3'-indole]-5'-carboxamide
CID 175906946
1'-[3-(difluoromethoxy)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2'-oxospiro[cyclopentane-1,3'-indole]-5'-carboxamide
CID 163200744
(3S)-1-[3-(difluoromethoxy)phenyl]-3-ethyl-3-methyl-N-(3-methyloxathiolan-3-yl)-2-oxoindole-5-carboxamide
CID 175443175
3-[5-cyclopropyl-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-methyl-2-oxoindol-1-yl]benzoic acid
CID 130231428
N-(4-methyloxan-4-yl)-4-sulfanylbenzamide
CID 107035610
1-[5-(2,2-difluoroethoxy)pyridazin-3-yl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
CID 163200695
1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
CID 163200709
N-(4-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 115759610
3-amino-N-(1,4-dimethylcyclohexyl)benzamide
CID 119765803
1-[3-(difluoromethoxy)phenyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxopyrrolo[2,3-b]pyridine-5-carboxamide
CID 163200781

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
The IUPAC name of 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide (CID 175443202) is 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
The canonical SMILES for 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide is CC1(NC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3c2cccc(C3CC3)c2)CCOCC1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
The InChIKey is ZYVXTUXSHXJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-25(2)21-16-19(23(29)27-26(3)11-13-31-14-12-26)9-10-22(21)28(24(25)30)20-6-4-5-18(15-20)17-7-8-17/h4-6,9-10,15-17H,7-8,11-14H2,1-3H3,(H,27,29).
What are the key properties of 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide?
1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-3,3-dimethyl-N-(4-methyloxan-4-yl)-2-oxoindole-5-carboxamide is sourced from PubChem (CID 175443202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).