N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

C22H28N2O4 — CID 108962124

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15(17-9-7-6-8-10-17)24-21(26)22(2,3)20(25)23-14-16-11-12-18(27-4)19(13-16)28-5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyMTFQKVUNGGMBET-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.22
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (PubChem CID 108962124) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
PubChem CID108962124
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-15(17-9-7-6-8-10-17)24-21(26)22(2,3)20(25)23-14-16-11-12-18(27-4)19(13-16)28-5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyMTFQKVUNGGMBET-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
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-tert-butyl-N'-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108965097
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2-dimethyl-1-phenylpropyl)urea
CID 55769817
1-[1-(4-tert-butylphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 60541277
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
N-[(3,4-dimethoxyphenyl)methyl]-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960213
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 46631034
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
N-[(3,4-dimethoxyphenyl)methyl]-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965127
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108965125
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954507

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (CID 108962124) is N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is COc1ccc(CNC(=O)C(C)(C)C(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The InChIKey is MTFQKVUNGGMBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(17-9-7-6-8-10-17)24-21(26)22(2,3)20(25)23-14-16-11-12-18(27-4)19(13-16)28-5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide has a molecular weight of 384.48 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-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108962124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).