N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide

C30H28N2O2 — CID 155528306

IUPACN-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3
InChIKeyWMIYYHPGWOFADE-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.52
Rot. Bonds7

About N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide

N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide (PubChem CID 155528306) has the molecular formula C30H28N2O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide
PubChem CID155528306
Molecular FormulaC30H28N2O2
Molecular Weight448.57 g/mol
Exact Mass448.22
IUPAC NameN-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3
InChIKeyWMIYYHPGWOFADE-UHFFFAOYSA-N
XLogP6.52
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide (CID 155528306) is N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide is CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide?
The InChIKey is WMIYYHPGWOFADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide?
N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide has a molecular weight of 448.57 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide is sourced from PubChem (CID 155528306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).