N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide

C20H22N2O2 — CID 157150353

IUPACN-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
SMILESCNC(=O)CCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O2/c1-21-20(23)9-5-8-16-13-22-19-11-10-17(12-18(16)19)24-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,22H,5,8-9,14H2,1H3,(H,21,23)
InChIKeyALEKFFNQLTVOTP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.82
Rot. Bonds7

About N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide

N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide (PubChem CID 157150353) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
PubChem CID157150353
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
SMILESCNC(=O)CCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O2/c1-21-20(23)9-5-8-16-13-22-19-11-10-17(12-18(16)19)24-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,22H,5,8-9,14H2,1H3,(H,21,23)
InChIKeyALEKFFNQLTVOTP-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
ethyl (E)-4-(5-phenylmethoxy-1H-indol-3-yl)but-2-enoate
CID 19372353
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
CID 70697319
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide?
The IUPAC name of N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide (CID 157150353) is N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide?
The canonical SMILES for N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide is CNC(=O)CCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide?
The InChIKey is ALEKFFNQLTVOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21-20(23)9-5-8-16-13-22-19-11-10-17(12-18(16)19)24-14-15-6-3-2-4-7-15/h2-4,6-7,10-13,22H,5,8-9,14H2,1H3,(H,21,23).
What are the key properties of N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide?
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide has a molecular weight of 322.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide is sourced from PubChem (CID 157150353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).