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

C21H23N3O4 — CID 55881880

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccccc3OCCC(N)=O)ccc21
InChIInChI=1S/C21H23N3O4/c1-2-20(26)24-11-9-14-13-15(7-8-17(14)24)21(27)23-16-5-3-4-6-18(16)28-12-10-19(22)25/h3-8,13H,2,9-12H2,1H3,(H2,22,25)(H,23,27)
InChIKeyULRYFVOQCHZJCB-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.49
Rot. Bonds7

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

N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55881880) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55881880
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3ccccc3OCCC(N)=O)ccc21
InChIInChI=1S/C21H23N3O4/c1-2-20(26)24-11-9-14-13-15(7-8-17(14)24)21(27)23-16-5-3-4-6-18(16)28-12-10-19(22)25/h3-8,13H,2,9-12H2,1H3,(H2,22,25)(H,23,27)
InChIKeyULRYFVOQCHZJCB-UHFFFAOYSA-N
XLogP2.49
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55892243
1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236141
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
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
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
(2S)-2-methyl-1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236152
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55881880) is N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3ccccc3OCCC(N)=O)ccc21.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ULRYFVOQCHZJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-2-20(26)24-11-9-14-13-15(7-8-17(14)24)21(27)23-16-5-3-4-6-18(16)28-12-10-19(22)25/h3-8,13H,2,9-12H2,1H3,(H2,22,25)(H,23,27).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55881880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).