N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide

C14H18N2O2 — CID 53159918

IUPACN-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCNC(=O)c1cccc2c1CCN2C(=O)CC
InChIInChI=1S/C14H18N2O2/c1-3-13(17)16-9-8-10-11(14(18)15-4-2)6-5-7-12(10)16/h5-7H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyXMRSCAFPLJUACK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.74
Rot. Bonds3

About N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide

N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide (PubChem CID 53159918) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
PubChem CID53159918
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide
SMILESCCNC(=O)c1cccc2c1CCN2C(=O)CC
InChIInChI=1S/C14H18N2O2/c1-3-13(17)16-9-8-10-11(14(18)15-4-2)6-5-7-12(10)16/h5-7H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyXMRSCAFPLJUACK-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-propanoyl-N-[(4-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159962
1-propanoyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindole-4-carboxamide
CID 53159942
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
N-[(2,5-dimethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-4-carboxamide
CID 53159946
N-butyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-4-carboxamide
CID 53159991
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 4866653
1-(cyclopropanecarbonyl)-N-[(3,5-dimethoxyphenyl)methyl]-2,3-dihydroindole-4-carboxamide
CID 53159994

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide (CID 53159918) is N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide is CCNC(=O)c1cccc2c1CCN2C(=O)CC.
What is the InChIKey of N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide?
The InChIKey is XMRSCAFPLJUACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-13(17)16-9-8-10-11(14(18)15-4-2)6-5-7-12(10)16/h5-7H,3-4,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide?
N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propanoyl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 53159918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).