N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

C22H26N2O4 — CID 108964399

IUPACN-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1cccc(CCNC(=O)C(C)(C)C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C22H26N2O4/c1-15(25)17-8-10-18(11-9-17)24-21(27)22(2,3)20(26)23-13-12-16-6-5-7-19(14-16)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyAFUJBFKLGULWQO-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.22
Rot. Bonds8

About N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide

N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964399) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964399
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
SMILESCOc1cccc(CCNC(=O)C(C)(C)C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C22H26N2O4/c1-15(25)17-8-10-18(11-9-17)24-21(27)22(2,3)20(26)23-13-12-16-6-5-7-19(14-16)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyAFUJBFKLGULWQO-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964406
N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963093
N-(5-chloro-2-methylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964386
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
N-(4-acetylphenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959753
N-cycloheptyl-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964347
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
2-amino-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107842874
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
(Z)-N-(4-acetylphenyl)-2-cyano-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
CID 108856562

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide (CID 108964399) is N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is COc1cccc(CCNC(=O)C(C)(C)C(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is AFUJBFKLGULWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(25)17-8-10-18(11-9-17)24-21(27)22(2,3)20(26)23-13-12-16-6-5-7-19(14-16)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 382.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).