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N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide

C23H30N2O4 — CID 55713571

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccccc2C)ccc1OCCC(C)C
InChIInChI=1S/C23H30N2O4/c1-16(2)11-12-29-20-10-9-18(13-21(20)28-4)14-24-22(26)15-25-23(27)19-8-6-5-7-17(19)3/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeySGPQVCXJFPCXAF-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.47
Rot. Bonds10

About N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide

N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 55713571) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
PubChem CID55713571
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCOc1cc(CNC(=O)CNC(=O)c2ccccc2C)ccc1OCCC(C)C
InChIInChI=1S/C23H30N2O4/c1-16(2)11-12-29-20-10-9-18(13-21(20)28-4)14-24-22(26)15-25-23(27)19-8-6-5-7-17(19)3/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,24,26)(H,25,27)
InChIKeySGPQVCXJFPCXAF-UHFFFAOYSA-N
XLogP3.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide (CID 55713571) is N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide is COc1cc(CNC(=O)CNC(=O)c2ccccc2C)ccc1OCCC(C)C.
What is the InChIKey of N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is SGPQVCXJFPCXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)11-12-29-20-10-9-18(13-21(20)28-4)14-24-22(26)15-25-23(27)19-8-6-5-7-17(19)3/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 398.50 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 55713571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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