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

C29H26N2O2 — CID 155558424

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide
SMILESCOc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3
InChIKeyPQLFAOJJKWOKRN-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.13
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide (PubChem CID 155558424) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide
PubChem CID155558424
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide
SMILESCOc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3
InChIKeyPQLFAOJJKWOKRN-UHFFFAOYSA-N
XLogP6.13
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide (CID 155558424) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide is COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide?
The InChIKey is PQLFAOJJKWOKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide is sourced from PubChem (CID 155558424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).