N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide

C21H26N2O4 — CID 108985863

IUPACN'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
SMILESCOc1ccc(CNC(=O)C(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(2)23(14-16-8-6-5-7-9-16)21(25)20(24)22-13-17-10-11-18(26-3)19(12-17)27-4/h5-12,15H,13-14H2,1-4H3,(H,22,24)
InChIKeyZOSBHFDUGHMNFK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.76
Rot. Bonds7

About N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide

N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide (PubChem CID 108985863) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
PubChem CID108985863
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
SMILESCOc1ccc(CNC(=O)C(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(2)23(14-16-8-6-5-7-9-16)21(25)20(24)22-13-17-10-11-18(26-3)19(12-17)27-4/h5-12,15H,13-14H2,1-4H3,(H,22,24)
InChIKeyZOSBHFDUGHMNFK-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
CID 108503366
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
CID 108985887
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-[acetyl(benzyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 133148863
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 110298595
2-(benzylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 55543538

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide?
The IUPAC name of N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide (CID 108985863) is N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide is COc1ccc(CNC(=O)C(=O)N(Cc2ccccc2)C(C)C)cc1OC.
What is the InChIKey of N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide?
The InChIKey is ZOSBHFDUGHMNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)23(14-16-8-6-5-7-9-16)21(25)20(24)22-13-17-10-11-18(26-3)19(12-17)27-4/h5-12,15H,13-14H2,1-4H3,(H,22,24).
What are the key properties of N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide?
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide has a molecular weight of 370.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 108985863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).