N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide

C26H26N2O — CID 178070448

IUPACN-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c29-26(18-22-19-28-25-16-8-7-14-24(22)25)27-17-9-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,19,23,28H,9,15,17-18H2,(H,27,29)
InChIKeyUZTNTRFFDQUVEM-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.44
Rot. Bonds8

About N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide

N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 178070448) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
PubChem CID178070448
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC NameN-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c29-26(18-22-19-28-25-16-8-7-14-24(22)25)27-17-9-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,19,23,28H,9,15,17-18H2,(H,27,29)
InChIKeyUZTNTRFFDQUVEM-UHFFFAOYSA-N
XLogP5.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
CID 144920872
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
CID 23660155
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
CID 71392573
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-(3-benzylsulfonylpropyl)-2-(1H-indol-3-yl)acetamide
CID 47029588
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide
CID 178070450
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049

Frequently Asked Questions

What is the IUPAC name of N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide (CID 178070448) is N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is UZTNTRFFDQUVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(18-22-19-28-25-16-8-7-14-24(22)25)27-17-9-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,19,23,28H,9,15,17-18H2,(H,27,29).
What are the key properties of N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide?
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 382.51 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 178070448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).