1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide

C27H28N2O2 — CID 167919547

IUPAC1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NC(C)Cc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C27H28N2O2/c1-20(18-21-12-14-23(15-13-21)22-8-4-3-5-9-22)28-27(30)25-19-29(16-17-31-2)26-11-7-6-10-24(25)26/h3-15,19-20H,16-18H2,1-2H3,(H,28,30)
InChIKeyZLQQJCVKNONNAG-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.32
Rot. Bonds8

About 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide

1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide (PubChem CID 167919547) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
PubChem CID167919547
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
SMILESCOCCn1cc(C(=O)NC(C)Cc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C27H28N2O2/c1-20(18-21-12-14-23(15-13-21)22-8-4-3-5-9-22)28-27(30)25-19-29(16-17-31-2)26-11-7-6-10-24(25)26/h3-15,19-20H,16-18H2,1-2H3,(H,28,30)
InChIKeyZLQQJCVKNONNAG-UHFFFAOYSA-N
XLogP5.32
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide (CID 167919547) is 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide is COCCn1cc(C(=O)NC(C)Cc2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide?
The InChIKey is ZLQQJCVKNONNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20(18-21-12-14-23(15-13-21)22-8-4-3-5-9-22)28-27(30)25-19-29(16-17-31-2)26-11-7-6-10-24(25)26/h3-15,19-20H,16-18H2,1-2H3,(H,28,30).
What are the key properties of 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide?
1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide is sourced from PubChem (CID 167919547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).