N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide

C29H32N2O3 — CID 70789735

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(C)c2)cc1OCC
InChIInChI=1S/C29H32N2O3/c1-4-33-27-14-13-22(18-28(27)34-5-2)15-16-30-29(32)26-19-24-11-6-7-12-25(24)31(26)20-23-10-8-9-21(3)17-23/h6-14,17-19H,4-5,15-16,20H2,1-3H3,(H,30,32)
InChIKeyKURLWTKSRTVZRP-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.77
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide (PubChem CID 70789735) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide
PubChem CID70789735
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(C)c2)cc1OCC
InChIInChI=1S/C29H32N2O3/c1-4-33-27-14-13-22(18-28(27)34-5-2)15-16-30-29(32)26-19-24-11-6-7-12-25(24)31(26)20-23-10-8-9-21(3)17-23/h6-14,17-19H,4-5,15-16,20H2,1-3H3,(H,30,32)
InChIKeyKURLWTKSRTVZRP-UHFFFAOYSA-N
XLogP5.77
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(3-methylphenyl)methyl]furo[2,3-b]pyrrole-5-carboxamide
CID 7328150
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 20851373
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905537
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
1-[(3-carbamothioylphenyl)methyl]-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
CID 18327585
N-[2-(3,4-diethoxyphenyl)ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 22427379
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide (CID 70789735) is N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide is CCOc1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(C)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The InChIKey is KURLWTKSRTVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-4-33-27-14-13-22(18-28(27)34-5-2)15-16-30-29(32)26-19-24-11-6-7-12-25(24)31(26)20-23-10-8-9-21(3)17-23/h6-14,17-19H,4-5,15-16,20H2,1-3H3,(H,30,32).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 70789735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).