4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide

C22H32N4O2 — CID 16614939

IUPAC4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCCn1ccc2ccccc21
InChIInChI=1S/C22H32N4O2/c27-21(12-6-14-24-22(28)25-19-9-2-1-3-10-19)23-15-7-16-26-17-13-18-8-4-5-11-20(18)26/h4-5,8,11,13,17,19H,1-3,6-7,9-10,12,14-16H2,(H,23,27)(H2,24,25,28)
InChIKeyZUAPFZVFBXTSAU-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.56
Rot. Bonds9

About 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide

4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide (PubChem CID 16614939) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
PubChem CID16614939
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)NCCCn1ccc2ccccc21
InChIInChI=1S/C22H32N4O2/c27-21(12-6-14-24-22(28)25-19-9-2-1-3-10-19)23-15-7-16-26-17-13-18-8-4-5-11-20(18)26/h4-5,8,11,13,17,19H,1-3,6-7,9-10,12,14-16H2,(H,23,27)(H2,24,25,28)
InChIKeyZUAPFZVFBXTSAU-UHFFFAOYSA-N
XLogP3.56
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-indol-1-ylpropyl)propanamide
CID 24554014
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
4-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]butanamide
CID 18152352
1-(cyclohexylmethyl)-3-(3-indol-1-ylpropyl)-1-methylurea
CID 112831559
4-(cyclohexylcarbamoylamino)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]butanamide
CID 86938834
N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
CID 111342083
2-cyclopentyl-N-[2-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111341858
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
1-(3-indol-1-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 78882953
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide (CID 16614939) is 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide is O=C(CCCNC(=O)NC1CCCCC1)NCCCn1ccc2ccccc21.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide?
The InChIKey is ZUAPFZVFBXTSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c27-21(12-6-14-24-22(28)25-19-9-2-1-3-10-19)23-15-7-16-26-17-13-18-8-4-5-11-20(18)26/h4-5,8,11,13,17,19H,1-3,6-7,9-10,12,14-16H2,(H,23,27)(H2,24,25,28).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide?
4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide has a molecular weight of 384.52 g/mol, XLogP of 3.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-(3-indol-1-ylpropyl)butanamide is sourced from PubChem (CID 16614939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).