N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide

C25H32N2O3 — CID 3593807

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide
SMILESCCOc1ccc(CCNC(=O)CCCc2cn(C)c3ccccc23)cc1OCC
InChIInChI=1S/C25H32N2O3/c1-4-29-23-14-13-19(17-24(23)30-5-2)15-16-26-25(28)12-8-9-20-18-27(3)22-11-7-6-10-21(20)22/h6-7,10-11,13-14,17-18H,4-5,8-9,12,15-16H2,1-3H3,(H,26,28)
InChIKeyUNUFQGDOJUZWRB-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.66
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide (PubChem CID 3593807) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide
PubChem CID3593807
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide
SMILESCCOc1ccc(CCNC(=O)CCCc2cn(C)c3ccccc23)cc1OCC
InChIInChI=1S/C25H32N2O3/c1-4-29-23-14-13-19(17-24(23)30-5-2)15-16-26-25(28)12-8-9-20-18-27(3)22-11-7-6-10-21(20)22/h6-7,10-11,13-14,17-18H,4-5,8-9,12,15-16H2,1-3H3,(H,26,28)
InChIKeyUNUFQGDOJUZWRB-UHFFFAOYSA-N
XLogP4.66
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide (CID 3593807) is N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide is CCOc1ccc(CCNC(=O)CCCc2cn(C)c3ccccc23)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide?
The InChIKey is UNUFQGDOJUZWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-4-29-23-14-13-19(17-24(23)30-5-2)15-16-26-25(28)12-8-9-20-18-27(3)22-11-7-6-10-21(20)22/h6-7,10-11,13-14,17-18H,4-5,8-9,12,15-16H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide has a molecular weight of 408.54 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 3593807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).