N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C21H23N3O3 — CID 47047847

IUPACN-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCN3C(=O)CC)c1
InChIInChI=1S/C21H23N3O3/c1-3-19(25)24-11-10-14-12-16(8-9-18(14)24)21(27)23-17-7-5-6-15(13-17)20(26)22-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyJQTRVYJEKHQVEI-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.99
Rot. Bonds5

About N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 47047847) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID47047847
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCN3C(=O)CC)c1
InChIInChI=1S/C21H23N3O3/c1-3-19(25)24-11-10-14-12-16(8-9-18(14)24)21(27)23-17-7-5-6-15(13-17)20(26)22-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyJQTRVYJEKHQVEI-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46491877
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55786918
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100542888
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 47047847) is N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCN3C(=O)CC)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is JQTRVYJEKHQVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-19(25)24-11-10-14-12-16(8-9-18(14)24)21(27)23-17-7-5-6-15(13-17)20(26)22-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 47047847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).