N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide

C23H31N3O4 — CID 7910523

IUPACN-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1OCC
InChIInChI=1S/C23H31N3O4/c1-5-29-20-13-12-19(14-21(20)30-6-2)25-23(28)16-26(4)15-22(27)24-17(3)18-10-8-7-9-11-18/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyUCEJFHZBUGMMIE-QGZVFWFLSA-N
MW413.52 g/mol
LogP3.23
Rot. Bonds11

About N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide

N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide (PubChem CID 7910523) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
PubChem CID7910523
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1OCC
InChIInChI=1S/C23H31N3O4/c1-5-29-20-13-12-19(14-21(20)30-6-2)25-23(28)16-26(4)15-22(27)24-17(3)18-10-8-7-9-11-18/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,27)(H,25,28)/t17-/m1/s1
InChIKeyUCEJFHZBUGMMIE-QGZVFWFLSA-N
XLogP3.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide (CID 7910523) is N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide is CCOc1ccc(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide?
The InChIKey is UCEJFHZBUGMMIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-5-29-20-13-12-19(14-21(20)30-6-2)25-23(28)16-26(4)15-22(27)24-17(3)18-10-8-7-9-11-18/h7-14,17H,5-6,15-16H2,1-4H3,(H,24,27)(H,25,28)/t17-/m1/s1.
What are the key properties of N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide is sourced from PubChem (CID 7910523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).