N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide

C16H21N3O3 — CID 51089632

IUPACN-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCCC(=O)N(C)C)[nH]c2c1
InChIInChI=1S/C16H21N3O3/c1-4-22-12-6-5-11-9-14(18-13(11)10-12)16(21)17-8-7-15(20)19(2)3/h5-6,9-10,18H,4,7-8H2,1-3H3,(H,17,21)
InChIKeyHZZDOAJBAFGHQO-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.77
Rot. Bonds6

About N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide

N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide (PubChem CID 51089632) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide
PubChem CID51089632
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)NCCC(=O)N(C)C)[nH]c2c1
InChIInChI=1S/C16H21N3O3/c1-4-22-12-6-5-11-9-14(18-13(11)10-12)16(21)17-8-7-15(20)19(2)3/h5-6,9-10,18H,4,7-8H2,1-3H3,(H,17,21)
InChIKeyHZZDOAJBAFGHQO-UHFFFAOYSA-N
XLogP1.77
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide (CID 51089632) is N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)NCCC(=O)N(C)C)[nH]c2c1.
What is the InChIKey of N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide?
The InChIKey is HZZDOAJBAFGHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-22-12-6-5-11-9-14(18-13(11)10-12)16(21)17-8-7-15(20)19(2)3/h5-6,9-10,18H,4,7-8H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide?
N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxopropyl]-6-ethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 51089632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).