N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide

C24H36N4O3 — CID 86900794

IUPACN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2ccc3c(ccn3CC(=O)N(CC)CC)c2)CC1
InChIInChI=1S/C24H36N4O3/c1-4-16-31-21-8-7-13-27(15-12-21)24(30)25-20-9-10-22-19(17-20)11-14-28(22)18-23(29)26(5-2)6-3/h9-11,14,17,21H,4-8,12-13,15-16,18H2,1-3H3,(H,25,30)
InChIKeyLMULFGAHFJXYIL-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.32
Rot. Bonds8

About N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide (PubChem CID 86900794) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide
PubChem CID86900794
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2ccc3c(ccn3CC(=O)N(CC)CC)c2)CC1
InChIInChI=1S/C24H36N4O3/c1-4-16-31-21-8-7-13-27(15-12-21)24(30)25-20-9-10-22-19(17-20)11-14-28(22)18-23(29)26(5-2)6-3/h9-11,14,17,21H,4-8,12-13,15-16,18H2,1-3H3,(H,25,30)
InChIKeyLMULFGAHFJXYIL-UHFFFAOYSA-N
XLogP4.32
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
N-[1-(2-methoxyethyl)indol-5-yl]-4-methylpiperidine-1-carboxamide
CID 56825863
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
N,N-diethyl-2-[5-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]indol-1-yl]acetamide
CID 86889785
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 56566381

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide (CID 86900794) is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide is CCCOC1CCCN(C(=O)Nc2ccc3c(ccn3CC(=O)N(CC)CC)c2)CC1.
What is the InChIKey of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide?
The InChIKey is LMULFGAHFJXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-4-16-31-21-8-7-13-27(15-12-21)24(30)25-20-9-10-22-19(17-20)11-14-28(22)18-23(29)26(5-2)6-3/h9-11,14,17,21H,4-8,12-13,15-16,18H2,1-3H3,(H,25,30).
What are the key properties of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide?
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide is sourced from PubChem (CID 86900794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).