(Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide

C21H29N3O5 — CID 10158019

IUPAC(Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide
SMILESCCCN(CCC)CCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C17H25N3O.C4H4O4/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16;5-3(6)1-2-4(7)8/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyCPKKAPVEISWTGZ-BTJKTKAUSA-N
MW403.48 g/mol
LogP2.64
Rot. Bonds10

About (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide

(Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide (PubChem CID 10158019) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide
PubChem CID10158019
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name(Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide
SMILESCCCN(CCC)CCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C17H25N3O.C4H4O4/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16;5-3(6)1-2-4(7)8/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyCPKKAPVEISWTGZ-BTJKTKAUSA-N
XLogP2.64
TPSA136.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide (CID 10158019) is (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide is CCCN(CCC)CCc1c[nH]c2ccc(C(N)=O)cc12.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide?
The InChIKey is CPKKAPVEISWTGZ-BTJKTKAUSA-N. The full InChI is InChI=1S/C17H25N3O.C4H4O4/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16;5-3(6)1-2-4(7)8/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide?
(Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 2.64, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 10158019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).