N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide

C25H31N3O3 — CID 46383982

IUPACN-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C25H31N3O3/c1-18(2)9-11-26-25(30)28-12-10-22-17-21(7-8-23(22)28)19-3-5-20(6-4-19)24(29)27-13-15-31-16-14-27/h3-8,17-18H,9-16H2,1-2H3,(H,26,30)
InChIKeyWZFUHDVHTAITDI-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.94
Rot. Bonds5

About N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide

N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 46383982) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID46383982
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21
InChIInChI=1S/C25H31N3O3/c1-18(2)9-11-26-25(30)28-12-10-22-17-21(7-8-23(22)28)19-3-5-20(6-4-19)24(29)27-13-15-31-16-14-27/h3-8,17-18H,9-16H2,1-2H3,(H,26,30)
InChIKeyWZFUHDVHTAITDI-UHFFFAOYSA-N
XLogP3.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46383985
2-methyl-1-[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 53109904
ethyl 2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]acetate
CID 46383962
ethyl (2R)-2-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]propanoate
CID 92882080
ethyl 4-[[5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carbonyl]amino]benzoate
CID 46383956
N-(2,5-dimethoxyphenyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46259620
4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 53109916
[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383999
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
1-[5-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 53109902
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014605

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 46383982) is N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide is CC(C)CCNC(=O)N1CCc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc21.
What is the InChIKey of N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is WZFUHDVHTAITDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18(2)9-11-26-25(30)28-12-10-22-17-21(7-8-23(22)28)19-3-5-20(6-4-19)24(29)27-13-15-31-16-14-27/h3-8,17-18H,9-16H2,1-2H3,(H,26,30).
What are the key properties of N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 46383982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).