N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide

C20H29N3O — CID 68709397

IUPACN-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCNCC1CCCCC1
InChIInChI=1S/C20H29N3O/c24-20(22-13-12-21-14-16-6-2-1-3-7-16)11-10-17-15-23-19-9-5-4-8-18(17)19/h4-5,8-9,15-16,21,23H,1-3,6-7,10-14H2,(H,22,24)
InChIKeyWSFOBLRARCCSBL-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.39
Rot. Bonds8

About N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide

N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 68709397) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID68709397
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCNCC1CCCCC1
InChIInChI=1S/C20H29N3O/c24-20(22-13-12-21-14-16-6-2-1-3-7-16)11-10-17-15-23-19-9-5-4-8-18(17)19/h4-5,8-9,15-16,21,23H,1-3,6-7,10-14H2,(H,22,24)
InChIKeyWSFOBLRARCCSBL-UHFFFAOYSA-N
XLogP3.39
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
3-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
CID 70159944
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 71932055
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide (CID 68709397) is N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCCNCC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is WSFOBLRARCCSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(22-13-12-21-14-16-6-2-1-3-7-16)11-10-17-15-23-19-9-5-4-8-18(17)19/h4-5,8-9,15-16,21,23H,1-3,6-7,10-14H2,(H,22,24).
What are the key properties of N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 327.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 68709397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).