N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide

C18H21N3O3 — CID 108955540

IUPACN-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)14-10-8-13(9-11-14)19-17(22)12-18(23)20-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMYKCAUYMZCDDJJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds6

About N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide

N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide (PubChem CID 108955540) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
PubChem CID108955540
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
SMILESCOc1ccccc1NC(=O)CC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)14-10-8-13(9-11-14)19-17(22)12-18(23)20-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMYKCAUYMZCDDJJ-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
N-[4-(dimethylamino)phenyl]-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1412036
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-(4-acetamidophenyl)-N-(2-methoxyphenyl)acetamide
CID 17410326
1-[4-(dimethylamino)phenyl]-3-(2-ethoxyphenyl)urea
CID 108894849
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3780148
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
CID 50875903

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide (CID 108955540) is N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide is COc1ccccc1NC(=O)CC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide?
The InChIKey is MYKCAUYMZCDDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(2)14-10-8-13(9-11-14)19-17(22)12-18(23)20-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide?
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide has a molecular weight of 327.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide is sourced from PubChem (CID 108955540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).