N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide

C32H32N2O4 — CID 3127160

IUPACN-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCN(Cc2ccccc2)C(=O)c2ccc(OC)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H32N2O4/c1-37-29-17-13-27(14-18-29)31(35)33(23-25-9-5-3-6-10-25)21-22-34(24-26-11-7-4-8-12-26)32(36)28-15-19-30(38-2)20-16-28/h3-20H,21-24H2,1-2H3
InChIKeyRKWRHJFLQDKNDU-UHFFFAOYSA-N
MW508.62 g/mol
LogP5.69
Rot. Bonds11

About N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide

N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide (PubChem CID 3127160) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
PubChem CID3127160
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC NameN-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCN(Cc2ccccc2)C(=O)c2ccc(OC)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C32H32N2O4/c1-37-29-17-13-27(14-18-29)31(35)33(23-25-9-5-3-6-10-25)21-22-34(24-26-11-7-4-8-12-26)32(36)28-15-19-30(38-2)20-16-28/h3-20H,21-24H2,1-2H3
InChIKeyRKWRHJFLQDKNDU-UHFFFAOYSA-N
XLogP5.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide (CID 3127160) is N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)N(CCN(Cc2ccccc2)C(=O)c2ccc(OC)cc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
The InChIKey is RKWRHJFLQDKNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-37-29-17-13-27(14-18-29)31(35)33(23-25-9-5-3-6-10-25)21-22-34(24-26-11-7-4-8-12-26)32(36)28-15-19-30(38-2)20-16-28/h3-20H,21-24H2,1-2H3.
What are the key properties of N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide?
N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide has a molecular weight of 508.62 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 3127160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).