N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide

C22H26N2O3 — CID 3684101

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide
SMILESCOc1ccc(OC)c(CNC(=O)CCCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C22H26N2O3/c1-24-15-16(19-8-4-5-9-20(19)24)7-6-10-22(25)23-14-17-13-18(26-2)11-12-21(17)27-3/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,23,25)
InChIKeyDKFFFCOFRSKVFX-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.83
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide

N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide (PubChem CID 3684101) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide
PubChem CID3684101
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide
SMILESCOc1ccc(OC)c(CNC(=O)CCCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C22H26N2O3/c1-24-15-16(19-8-4-5-9-20(19)24)7-6-10-22(25)23-14-17-13-18(26-2)11-12-21(17)27-3/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,23,25)
InChIKeyDKFFFCOFRSKVFX-UHFFFAOYSA-N
XLogP3.83
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_A(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide (CID 3684101) is N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide is COc1ccc(OC)c(CNC(=O)CCCc2cn(C)c3ccccc23)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
The InChIKey is DKFFFCOFRSKVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-24-15-16(19-8-4-5-9-20(19)24)7-6-10-22(25)23-14-17-13-18(26-2)11-12-21(17)27-3/h4-5,8-9,11-13,15H,6-7,10,14H2,1-3H3,(H,23,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide has a molecular weight of 366.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 3684101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).