1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide

C35H44ClN3O3 — CID 163461256

IUPAC1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
SMILESCCCN(CCCCCOc1ccc(Cl)cc1)CCCn1cc(C(=O)NCc2cccc(C)c2)c2cccc(OC)c21
InChIInChI=1S/C35H44ClN3O3/c1-4-19-38(20-6-5-7-23-42-30-17-15-29(36)16-18-30)21-10-22-39-26-32(31-13-9-14-33(41-3)34(31)39)35(40)37-25-28-12-8-11-27(2)24-28/h8-9,11-18,24,26H,4-7,10,19-23,25H2,1-3H3,(H,37,40)
InChIKeyBOTPVBCDXPTFDE-UHFFFAOYSA-N
MW590.21 g/mol
LogP7.89
Rot. Bonds17

About 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide

1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide (PubChem CID 163461256) has the molecular formula C35H44ClN3O3 and a molecular weight of 590.21 g/mol. Its IUPAC name is 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
PubChem CID163461256
Molecular FormulaC35H44ClN3O3
Molecular Weight590.21 g/mol
Exact Mass589.31
IUPAC Name1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
SMILESCCCN(CCCCCOc1ccc(Cl)cc1)CCCn1cc(C(=O)NCc2cccc(C)c2)c2cccc(OC)c21
InChIInChI=1S/C35H44ClN3O3/c1-4-19-38(20-6-5-7-23-42-30-17-15-29(36)16-18-30)21-10-22-39-26-32(31-13-9-14-33(41-3)34(31)39)35(40)37-25-28-12-8-11-27(2)24-28/h8-9,11-18,24,26H,4-7,10,19-23,25H2,1-3H3,(H,37,40)
InChIKeyBOTPVBCDXPTFDE-UHFFFAOYSA-N
XLogP7.89
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.21
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide with MolForge

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Related Compounds

7-methoxy-1-methyl-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 143502442
1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58968192
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1S,4S)-5-[2-(4-fluorophenoxy)ethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]propyl]-7-methoxyindole-3-carboxamide
CID 69444839
1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58967671
N-[(3,4-dichlorophenyl)methyl]-1-[3-[(1R,5S)-3-[2-(4-fluorophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58968472
bis(1-[3-[3-(2-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide);[1-[3-[3-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 158140552
1-[3-[3-[2-(4-chlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide;ethane
CID 143502866
1-(3-chloropropyl)-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 58968486
butane;1-butyl-7-ethoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;ethane;N-[2-[(2E,4E)-5-fluorohepta-2,4-dien-2-yl]oxyethyl]propan-1-amine
CID 143503053
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-methylphenyl)methyl]-7-propan-2-yloxyindole-3-carboxamide
CID 58968195
1-[3-[(1R,5S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-fluorophenyl)methyl]-7-methoxyindole-3-carboxamide
CID 58967930
7-methoxy-N-[(2-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
CID 58968285

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide (CID 163461256) is 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide is CCCN(CCCCCOc1ccc(Cl)cc1)CCCn1cc(C(=O)NCc2cccc(C)c2)c2cccc(OC)c21.
What is the InChIKey of 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
The InChIKey is BOTPVBCDXPTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44ClN3O3/c1-4-19-38(20-6-5-7-23-42-30-17-15-29(36)16-18-30)21-10-22-39-26-32(31-13-9-14-33(41-3)34(31)39)35(40)37-25-28-12-8-11-27(2)24-28/h8-9,11-18,24,26H,4-7,10,19-23,25H2,1-3H3,(H,37,40).
What are the key properties of 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide?
1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide has a molecular weight of 590.21 g/mol, XLogP of 7.89, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-chlorophenoxy)pentyl-propylamino]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 163461256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).