N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide

C18H25N3O2 — CID 47042094

IUPACN-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCCNC(=O)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C18H25N3O2/c1-13(2)21(14(3)22)10-6-9-19-18(23)11-15-12-20-17-8-5-4-7-16(15)17/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3,(H,19,23)
InChIKeyXSXUHLBTDXQOCI-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.47
Rot. Bonds7

About N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide

N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 47042094) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
PubChem CID47042094
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCCNC(=O)Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C18H25N3O2/c1-13(2)21(14(3)22)10-6-9-19-18(23)11-15-12-20-17-8-5-4-7-16(15)17/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3,(H,19,23)
InChIKeyXSXUHLBTDXQOCI-UHFFFAOYSA-N
XLogP2.47
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.47
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-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
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
(2S)-N-(6-acetamidohexyl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 10091557
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
CID 102304258
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
N-(5,6-dihydroxy-6-methylheptyl)-2-(1H-indol-3-yl)acetamide
CID 71392573

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide (CID 47042094) is N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide is CC(=O)N(CCCNC(=O)Cc1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is XSXUHLBTDXQOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)21(14(3)22)10-6-9-19-18(23)11-15-12-20-17-8-5-4-7-16(15)17/h4-5,7-8,12-13,20H,6,9-11H2,1-3H3,(H,19,23).
What are the key properties of N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide?
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 47042094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).