4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide

C21H26N2O5 — CID 30100434

IUPAC4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)C(C)C)cc(OC)c1OCC(N)=O
InChIInChI=1S/C21H26N2O5/c1-14(2)23(12-15-8-6-5-7-9-15)21(25)16-10-17(26-3)20(18(11-16)27-4)28-13-19(22)24/h5-11,14H,12-13H2,1-4H3,(H2,22,24)
InChIKeyLUUPKJMJPOYWSC-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.62
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide

4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide (PubChem CID 30100434) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
PubChem CID30100434
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2ccccc2)C(C)C)cc(OC)c1OCC(N)=O
InChIInChI=1S/C21H26N2O5/c1-14(2)23(12-15-8-6-5-7-9-15)21(25)16-10-17(26-3)20(18(11-16)27-4)28-13-19(22)24/h5-11,14H,12-13H2,1-4H3,(H2,22,24)
InChIKeyLUUPKJMJPOYWSC-UHFFFAOYSA-N
XLogP2.62
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
CID 55429568
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
CID 55602174
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
CID 52501698
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide (CID 30100434) is 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide is COc1cc(C(=O)N(Cc2ccccc2)C(C)C)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide?
The InChIKey is LUUPKJMJPOYWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14(2)23(12-15-8-6-5-7-9-15)21(25)16-10-17(26-3)20(18(11-16)27-4)28-13-19(22)24/h5-11,14H,12-13H2,1-4H3,(H2,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide?
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide has a molecular weight of 386.45 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 30100434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).