N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C23H29N3O2 — CID 55786918

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccc(N(CC)C(C)C)cc3)ccc21
InChIInChI=1S/C23H29N3O2/c1-5-22(27)26-14-13-17-15-18(7-12-21(17)26)23(28)24-19-8-10-20(11-9-19)25(6-2)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)
InChIKeyAFXATFOPOMAWJJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55786918) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55786918
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccc(N(CC)C(C)C)cc3)ccc21
InChIInChI=1S/C23H29N3O2/c1-5-22(27)26-14-13-17-15-18(7-12-21(17)26)23(28)24-19-8-10-20(11-9-19)25(6-2)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28)
InChIKeyAFXATFOPOMAWJJ-UHFFFAOYSA-N
XLogP4.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46491877
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
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55786918) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3ccc(N(CC)C(C)C)cc3)ccc21.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is AFXATFOPOMAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-22(27)26-14-13-17-15-18(7-12-21(17)26)23(28)24-19-8-10-20(11-9-19)25(6-2)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,28).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55786918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).