N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C24H31N3O2 — CID 46490523

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCc3ccc(CN(CC)CC)cc3)ccc21
InChIInChI=1S/C24H31N3O2/c1-4-23(28)27-14-13-20-15-21(11-12-22(20)27)24(29)25-16-18-7-9-19(10-8-18)17-26(5-2)6-3/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,25,29)
InChIKeyZZRVSKKSDZKIFV-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.76
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46490523) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID46490523
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCc3ccc(CN(CC)CC)cc3)ccc21
InChIInChI=1S/C24H31N3O2/c1-4-23(28)27-14-13-20-15-21(11-12-22(20)27)24(29)25-16-18-7-9-19(10-8-18)17-26(5-2)6-3/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,25,29)
InChIKeyZZRVSKKSDZKIFV-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 167782754
1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55788815
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 46490523) is N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCc3ccc(CN(CC)CC)cc3)ccc21.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZZRVSKKSDZKIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-23(28)27-14-13-20-15-21(11-12-22(20)27)24(29)25-16-18-7-9-19(10-8-18)17-26(5-2)6-3/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,25,29).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46490523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).