N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide

C26H30N2O — CID 44534227

IUPACN-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCCc1ccc(CN(Cc2ccc(C)cc2)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H30N2O/c1-4-22-9-11-24(12-10-22)18-28(17-23-7-5-20(2)6-8-23)19-25-13-15-26(16-14-25)27-21(3)29/h5-16H,4,17-19H2,1-3H3,(H,27,29)
InChIKeyKXILEYCRBCEKGG-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.72
Rot. Bonds8

About N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide

N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide (PubChem CID 44534227) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide
PubChem CID44534227
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC NameN-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide
SMILESCCc1ccc(CN(Cc2ccc(C)cc2)Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H30N2O/c1-4-22-9-11-24(12-10-22)18-28(17-23-7-5-20(2)6-8-23)19-25-13-15-26(16-14-25)27-21(3)29/h5-16H,4,17-19H2,1-3H3,(H,27,29)
InChIKeyKXILEYCRBCEKGG-UHFFFAOYSA-N
XLogP5.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide (CID 44534227) is N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide is CCc1ccc(CN(Cc2ccc(C)cc2)Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide?
The InChIKey is KXILEYCRBCEKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-4-22-9-11-24(12-10-22)18-28(17-23-7-5-20(2)6-8-23)19-25-13-15-26(16-14-25)27-21(3)29/h5-16H,4,17-19H2,1-3H3,(H,27,29).
What are the key properties of N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide?
N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-ethylphenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 44534227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).