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

C22H28N2O4 — CID 108503366

IUPACN'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
SMILESCOc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-16(2)24(15-18-8-6-5-7-9-18)22(26)21(25)23-13-12-17-10-11-19(27-3)20(14-17)28-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,23,25)
InChIKeyDOBHAJNHGRALED-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.80
Rot. Bonds8

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

N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide (PubChem CID 108503366) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
PubChem CID108503366
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
SMILESCOc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C22H28N2O4/c1-16(2)24(15-18-8-6-5-7-9-18)22(26)21(25)23-13-12-17-10-11-19(27-3)20(14-17)28-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,23,25)
InChIKeyDOBHAJNHGRALED-UHFFFAOYSA-N
XLogP2.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.80
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-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863
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
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108836180
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 133236497
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-[(2-oxo-3-phenylpropanoyl)amino]butanamide
CID 10895204
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methylpropyl)oxamide
CID 3102524

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide (CID 108503366) is N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide is COc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2)C(C)C)cc1OC.
What is the InChIKey of N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide?
The InChIKey is DOBHAJNHGRALED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-16(2)24(15-18-8-6-5-7-9-18)22(26)21(25)23-13-12-17-10-11-19(27-3)20(14-17)28-4/h5-11,14,16H,12-13,15H2,1-4H3,(H,23,25).
What are the key properties of N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide?
N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide has a molecular weight of 384.48 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 108503366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).