1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide

C30H35N3O4 — CID 127044912

IUPAC1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
SMILESCC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
InChIKeyWQEWTKPRTZWJNW-UHFFFAOYSA-N
MW501.63 g/mol
LogP4.30
Rot. Bonds14

About 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide

1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide (PubChem CID 127044912) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
PubChem CID127044912
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC Name1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide
SMILESCC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1
InChIInChI=1S/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
InChIKeyWQEWTKPRTZWJNW-UHFFFAOYSA-N
XLogP4.30
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-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 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
The IUPAC name of 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide (CID 127044912) is 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
The canonical SMILES for 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide is CC(Cc1cc(C(N)=O)c2c(ccn2CCCO)c1)NCCOc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
The InChIKey is WQEWTKPRTZWJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35).
What are the key properties of 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide?
1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 4.30, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]indole-7-carboxamide is sourced from PubChem (CID 127044912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).