3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

C23H30N2O4 — CID 24683602

IUPAC3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)CCc2ccccc2)cc1OCC
InChIInChI=1S/C23H30N2O4/c1-4-28-20-14-13-19(15-21(20)29-5-2)23(27)24-16-22(26)25-17(3)11-12-18-9-7-6-8-10-18/h6-10,13-15,17H,4-5,11-12,16H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyIIYHCLIHNMESCA-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.35
Rot. Bonds11

About 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (PubChem CID 24683602) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
PubChem CID24683602
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC(C)CCc2ccccc2)cc1OCC
InChIInChI=1S/C23H30N2O4/c1-4-28-20-14-13-19(15-21(20)29-5-2)23(27)24-16-22(26)25-17(3)11-12-18-9-7-6-8-10-18/h6-10,13-15,17H,4-5,11-12,16H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyIIYHCLIHNMESCA-UHFFFAOYSA-N
XLogP3.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Trimethobenzamide
CID 5577
Troxipide
CID 5597
Itopride
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Trimethobenzamide Hydrochloride
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Itopride Hydrochloride
CID 129791
Ecabapide
CID 65885
Tiropramide
CID 42262
Opiranserin
CID 71566778
Pha-568487
CID 9932000
N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide
CID 22831877
Moxilubant
CID 9955657
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (CID 24683602) is 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NC(C)CCc2ccccc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The InChIKey is IIYHCLIHNMESCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-28-20-14-13-19(15-21(20)29-5-2)23(27)24-16-22(26)25-17(3)11-12-18-9-7-6-8-10-18/h6-10,13-15,17H,4-5,11-12,16H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 24683602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).