N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C31H30N2O3 — CID 155547788

IUPACN-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(-c3ccc(OC)cc3)ccc21
InChIInChI=1S/C31H30N2O3/c1-4-32(20-22-8-7-9-26(18-22)36-3)31(34)21-33-29-11-6-5-10-27(29)28-19-24(14-17-30(28)33)23-12-15-25(35-2)16-13-23/h5-19H,4,20-21H2,1-3H3
InChIKeyXPMXYBXIOCDXNX-UHFFFAOYSA-N
MW478.59 g/mol
LogP6.53
Rot. Bonds8

About N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide

N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 155547788) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID155547788
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(-c3ccc(OC)cc3)ccc21
InChIInChI=1S/C31H30N2O3/c1-4-32(20-22-8-7-9-26(18-22)36-3)31(34)21-33-29-11-6-5-10-27(29)28-19-24(14-17-30(28)33)23-12-15-25(35-2)16-13-23/h5-19H,4,20-21H2,1-3H3
InChIKeyXPMXYBXIOCDXNX-UHFFFAOYSA-N
XLogP6.53
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 155547788) is N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide is CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(-c3ccc(OC)cc3)ccc21.
What is the InChIKey of N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is XPMXYBXIOCDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-4-32(20-22-8-7-9-26(18-22)36-3)31(34)21-33-29-11-6-5-10-27(29)28-19-24(14-17-30(28)33)23-12-15-25(35-2)16-13-23/h5-19H,4,20-21H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 478.59 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 155547788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).