3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide

C20H22N2O2 — CID 143227550

IUPAC3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide
SMILESCCCCOc1cc(C(=O)NC)ccc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22N2O2/c1-3-4-11-24-19-13-16(20(23)21-2)5-7-17(19)14-6-8-18-15(12-14)9-10-22-18/h5-10,12-13,22H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyFNFBYXLGRCFKQO-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.37
Rot. Bonds6

About 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide

3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide (PubChem CID 143227550) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide
PubChem CID143227550
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide
SMILESCCCCOc1cc(C(=O)NC)ccc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22N2O2/c1-3-4-11-24-19-13-16(20(23)21-2)5-7-17(19)14-6-8-18-15(12-14)9-10-22-18/h5-10,12-13,22H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyFNFBYXLGRCFKQO-UHFFFAOYSA-N
XLogP4.37
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
[3-[3-(dipropylamino)propoxy]-4-(1H-indol-5-yl)phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone
CID 59688722
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
hexyl 1H-indole-5-carboxylate
CID 90708672
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
[4-(1H-indol-5-yl)-3-(3-thiomorpholin-4-ylpropoxy)phenyl]-(2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 59688645
[4-(1H-indol-5-yl)-3-(4-morpholin-4-ylbutoxy)phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone
CID 59688733
[3-[3-[2-(dimethylamino)ethyl-methylamino]propoxy]-4-(1H-indol-5-yl)phenyl]-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl]methanone
CID 59688597
4-[2-(1H-indol-5-yl)-5-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carbonyl]phenoxy]butyl N-benzylcarbamate
CID 69369514
N-pentylsulfonyl-1H-indole-5-carboxamide
CID 141014776
5-heptoxy-1H-indole
CID 80642434

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide?
The IUPAC name of 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide (CID 143227550) is 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide.
What is the SMILES notation for 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide?
The canonical SMILES for 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide is CCCCOc1cc(C(=O)NC)ccc1-c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide?
The InChIKey is FNFBYXLGRCFKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-4-11-24-19-13-16(20(23)21-2)5-7-17(19)14-6-8-18-15(12-14)9-10-22-18/h5-10,12-13,22H,3-4,11H2,1-2H3,(H,21,23).
What are the key properties of 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide?
3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide is sourced from PubChem (CID 143227550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).