7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide

C16H24N4O — CID 63118057

IUPAC7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H24N4O/c1-4-8-20(10-9-19(2)3)16(21)14-11-12-6-5-7-13(17)15(12)18-14/h5-7,11,18H,4,8-10,17H2,1-3H3
InChIKeyRPSXRHDTJVWOLL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.16
Rot. Bonds6

About 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide

7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide (PubChem CID 63118057) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide
PubChem CID63118057
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H24N4O/c1-4-8-20(10-9-19(2)3)16(21)14-11-12-6-5-7-13(17)15(12)18-14/h5-7,11,18H,4,8-10,17H2,1-3H3
InChIKeyRPSXRHDTJVWOLL-UHFFFAOYSA-N
XLogP2.16
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(7-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118066
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831
7-amino-N-(2-methoxyethyl)-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 63117917
7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63117988
2-amino-6-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 55244149
7-amino-N-cyclopentyl-N-ethyl-1H-indole-2-carboxamide
CID 62057898
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
7-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-indole-2-carboxamide
CID 63117459
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
CID 107424007
1-(7-amino-1H-indol-2-yl)-3,3-dimethylbutan-1-one
CID 58192931
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide (CID 63118057) is 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide is CCCN(CCN(C)C)C(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide?
The InChIKey is RPSXRHDTJVWOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-8-20(10-9-19(2)3)16(21)14-11-12-6-5-7-13(17)15(12)18-14/h5-7,11,18H,4,8-10,17H2,1-3H3.
What are the key properties of 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide?
7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(dimethylamino)ethyl]-N-propyl-1H-indole-2-carboxamide is sourced from PubChem (CID 63118057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).