1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide

C22H24N2O4 — CID 53159994

IUPAC1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3c2CCN3C(=O)C2CC2)cc(OC)c1
InChIInChI=1S/C22H24N2O4/c1-27-16-10-14(11-17(12-16)28-2)13-23-21(25)19-4-3-5-20-18(19)8-9-24(20)22(26)15-6-7-15/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,23,25)
InChIKeyQEAQGSHMGSIALW-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.93
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide

1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 53159994) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
PubChem CID53159994
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3c2CCN3C(=O)C2CC2)cc(OC)c1
InChIInChI=1S/C22H24N2O4/c1-27-16-10-14(11-17(12-16)28-2)13-23-21(25)19-4-3-5-20-18(19)8-9-24(20)22(26)15-6-7-15/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,23,25)
InChIKeyQEAQGSHMGSIALW-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonyl)-N-[(3-methoxyphenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407211
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159946
1-(cyclopropanecarbonyl)-N-cyclopropyl-2,3-dihydroindole-4-carboxamide
CID 53014581
1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159962
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorobenzoyl)-2,3-dihydroindole-4-carboxamide
CID 53160054
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
N-(cyclohexylmethyl)-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159922
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159918
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20950660
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 92708699

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide (CID 53159994) is 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide is COc1cc(CNC(=O)c2cccc3c2CCN3C(=O)C2CC2)cc(OC)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is QEAQGSHMGSIALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-16-10-14(11-17(12-16)28-2)13-23-21(25)19-4-3-5-20-18(19)8-9-24(20)22(26)15-6-7-15/h3-5,10-12,15H,6-9,13H2,1-2H3,(H,23,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).