1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide

C22H26N2O3 — CID 53159962

IUPAC1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3ccc(OC(C)C)cc3)cccc21
InChIInChI=1S/C22H26N2O3/c1-4-21(25)24-13-12-18-19(6-5-7-20(18)24)22(26)23-14-16-8-10-17(11-9-16)27-15(2)3/h5-11,15H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyVPSXNVHRGWKBFF-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.70
Rot. Bonds6

About 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide

1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 53159962) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
PubChem CID53159962
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESCCC(=O)N1CCc2c(C(=O)NCc3ccc(OC(C)C)cc3)cccc21
InChIInChI=1S/C22H26N2O3/c1-4-21(25)24-13-12-18-19(6-5-7-20(18)24)22(26)23-14-16-8-10-17(11-9-16)27-15(2)3/h5-11,15H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyVPSXNVHRGWKBFF-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159946
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
CID 53159942
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159922
N-[(2,5-dimethylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159955
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159994
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
methyl 4-[[[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylbenzoyl]amino]methyl]benzoate
CID 46601591
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide (CID 53159962) is 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide is CCC(=O)N1CCc2c(C(=O)NCc3ccc(OC(C)C)cc3)cccc21.
What is the InChIKey of 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is VPSXNVHRGWKBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-21(25)24-13-12-18-19(6-5-7-20(18)24)22(26)23-14-16-8-10-17(11-9-16)27-15(2)3/h5-11,15H,4,12-14H2,1-3H3,(H,23,26).
What are the key properties of 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).