N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide

C23H31N3O3 — CID 142899826

IUPACN-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H31N3O3/c1-5-26(6-2)15-14-24-23(28)20-13-12-19(16-21(20)29-4)25-17(3)22(27)18-10-8-7-9-11-18/h7-13,16-17,25H,5-6,14-15H2,1-4H3,(H,24,28)
InChIKeyAXWAJMLXTRVOAX-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.45
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide

N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide (PubChem CID 142899826) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
PubChem CID142899826
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H31N3O3/c1-5-26(6-2)15-14-24-23(28)20-13-12-19(16-21(20)29-4)25-17(3)22(27)18-10-8-7-9-11-18/h7-13,16-17,25H,5-6,14-15H2,1-4H3,(H,24,28)
InChIKeyAXWAJMLXTRVOAX-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide (CID 142899826) is N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(C)C(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide?
The InChIKey is AXWAJMLXTRVOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-5-26(6-2)15-14-24-23(28)20-13-12-19(16-21(20)29-4)25-17(3)22(27)18-10-8-7-9-11-18/h7-13,16-17,25H,5-6,14-15H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide?
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide is sourced from PubChem (CID 142899826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).