N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

C21H31N3O3 — CID 55788763

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCC(C(C)C)N3CCOCC3)ccc21
InChIInChI=1S/C21H31N3O3/c1-4-20(25)24-8-7-16-13-17(5-6-18(16)24)21(26)22-14-19(15(2)3)23-9-11-27-12-10-23/h5-6,13,15,19H,4,7-12,14H2,1-3H3,(H,22,26)
InChIKeyCDNDLMMZBFQIRD-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.07
Rot. Bonds6

About N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55788763) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55788763
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCC(C(C)C)N3CCOCC3)ccc21
InChIInChI=1S/C21H31N3O3/c1-4-20(25)24-8-7-16-13-17(5-6-18(16)24)21(26)22-14-19(15(2)3)23-9-11-27-12-10-23/h5-6,13,15,19H,4,7-12,14H2,1-3H3,(H,22,26)
InChIKeyCDNDLMMZBFQIRD-UHFFFAOYSA-N
XLogP2.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
4-methyl-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-pyrrolidin-1-ylbenzamide
CID 92626833
1-acetyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24643806
N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111485199
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-4-nitrobenzamide
CID 30379685
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24647042
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55788763) is N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCC(C(C)C)N3CCOCC3)ccc21.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is CDNDLMMZBFQIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-20(25)24-8-7-16-13-17(5-6-18(16)24)21(26)22-14-19(15(2)3)23-9-11-27-12-10-23/h5-6,13,15,19H,4,7-12,14H2,1-3H3,(H,22,26).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55788763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).