N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide

C23H36N2O — CID 142212830

IUPACN-[1-(1-decylindol-3-yl)propan-2-yl]acetamide
SMILESCCCCCCCCCCn1cc(CC(C)NC(C)=O)c2ccccc21
InChIInChI=1S/C23H36N2O/c1-4-5-6-7-8-9-10-13-16-25-18-21(17-19(2)24-20(3)26)22-14-11-12-15-23(22)25/h11-12,14-15,18-19H,4-10,13,16-17H2,1-3H3,(H,24,26)
InChIKeyIZLABNRCUTWENL-UHFFFAOYSA-N
MW356.55 g/mol
LogP5.85
Rot. Bonds12

About N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide

N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide (PubChem CID 142212830) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-decylindol-3-yl)propan-2-yl]acetamide
PubChem CID142212830
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC NameN-[1-(1-decylindol-3-yl)propan-2-yl]acetamide
SMILESCCCCCCCCCCn1cc(CC(C)NC(C)=O)c2ccccc21
InChIInChI=1S/C23H36N2O/c1-4-5-6-7-8-9-10-13-16-25-18-21(17-19(2)24-20(3)26)22-14-11-12-15-23(22)25/h11-12,14-15,18-19H,4-10,13,16-17H2,1-3H3,(H,24,26)
InChIKeyIZLABNRCUTWENL-UHFFFAOYSA-N
XLogP5.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-(1-decylindol-3-yl)propanoic acid;methane;methyl 2-acetamido-3-(1-decylindol-3-yl)propanoate
CID 162143540
3-[[2-[[2-acetamido-3-(1-decylindol-3-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 59065005
trimethyl-[(1-octylindol-3-yl)methyl]azanium iodide
CID 70692357
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-pentylindol-3-yl)propanoic acid
CID 23148320
2-(4-methylpentanoylamino)-3-(1-propylindol-3-yl)propanoic acid
CID 139679248
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
2-(1-butylindol-3-yl)propanedioyl dichloride
CID 156786445
4-(3-octadeca-9,12-dienylindol-1-yl)butanoic acid
CID 54369650

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide (CID 142212830) is N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide is CCCCCCCCCCn1cc(CC(C)NC(C)=O)c2ccccc21.
What is the InChIKey of N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide?
The InChIKey is IZLABNRCUTWENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-4-5-6-7-8-9-10-13-16-25-18-21(17-19(2)24-20(3)26)22-14-11-12-15-23(22)25/h11-12,14-15,18-19H,4-10,13,16-17H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide?
N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide has a molecular weight of 356.55 g/mol, XLogP of 5.85, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 142212830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).