N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide

C25H31N3O3 — CID 86887844

IUPACN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)CC(C)c3ccccc3OC)ccc21
InChIInChI=1S/C25H31N3O3/c1-5-27(6-2)25(30)17-28-14-13-19-16-20(11-12-22(19)28)26-24(29)15-18(3)21-9-7-8-10-23(21)31-4/h7-14,16,18H,5-6,15,17H2,1-4H3,(H,26,29)
InChIKeyRDRKRXSZDPHAGV-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.65
Rot. Bonds9

About N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide

N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide (PubChem CID 86887844) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
PubChem CID86887844
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide
SMILESCCN(CC)C(=O)Cn1ccc2cc(NC(=O)CC(C)c3ccccc3OC)ccc21
InChIInChI=1S/C25H31N3O3/c1-5-27(6-2)25(30)17-28-14-13-19-16-20(11-12-22(19)28)26-24(29)15-18(3)21-9-7-8-10-23(21)31-4/h7-14,16,18H,5-6,15,17H2,1-4H3,(H,26,29)
InChIKeyRDRKRXSZDPHAGV-UHFFFAOYSA-N
XLogP4.65
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889821
2-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]indol-1-yl]-N,N-diethylacetamide
CID 86889777
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclopropane-1-carboxamide
CID 119764130
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-5-fluoro-2-methylbenzamide
CID 86874773
3-[[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079445
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-pyrazol-1-ylbenzamide
CID 86874806
N,N-diethyl-2-[5-[[2-hydroxy-2-(4-methylphenyl)ethyl]carbamoylamino]indol-1-yl]acetamide
CID 86889809
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86885257
1-amino-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexane-1-carboxamide
CID 119312265
4,5-dichloro-N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-1H-pyrrole-2-carboxamide
CID 86874780
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide?
The IUPAC name of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide (CID 86887844) is N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide is CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CC(C)c3ccccc3OC)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide?
The InChIKey is RDRKRXSZDPHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-5-27(6-2)25(30)17-28-14-13-19-16-20(11-12-22(19)28)26-24(29)15-18(3)21-9-7-8-10-23(21)31-4/h7-14,16,18H,5-6,15,17H2,1-4H3,(H,26,29).
What are the key properties of N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide?
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-3-(2-methoxyphenyl)butanamide has a molecular weight of 421.54 g/mol, XLogP of 4.65, 9 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]-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 86887844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).