7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide

C16H24N4O — CID 63117459

IUPAC7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H24N4O/c1-16(2,10-20(3)4)9-18-15(21)13-8-11-6-5-7-12(17)14(11)19-13/h5-8,19H,9-10,17H2,1-4H3,(H,18,21)
InChIKeyHVTPLWBEUCDINE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds5

About 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide

7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide (PubChem CID 63117459) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
PubChem CID63117459
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H24N4O/c1-16(2,10-20(3)4)9-18-15(21)13-8-11-6-5-7-12(17)14(11)19-13/h5-8,19H,9-10,17H2,1-4H3,(H,18,21)
InChIKeyHVTPLWBEUCDINE-UHFFFAOYSA-N
XLogP2.07
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide (CID 63117459) is 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide is CN(C)CC(C)(C)CNC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide?
The InChIKey is HVTPLWBEUCDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-16(2,10-20(3)4)9-18-15(21)13-8-11-6-5-7-12(17)14(11)19-13/h5-8,19H,9-10,17H2,1-4H3,(H,18,21).
What are the key properties of 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide?
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63117459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).