N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide

C23H31N3O3 — CID 108955868

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccccc2OC(C)C)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-26(7-2)18-12-13-19(17(5)14-18)24-22(27)15-23(28)25-20-10-8-9-11-21(20)29-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKODUFHZVAIPQNI-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.60
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide

N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108955868) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108955868
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccccc2OC(C)C)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-6-26(7-2)18-12-13-19(17(5)14-18)24-22(27)15-23(28)25-20-10-8-9-11-21(20)29-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKODUFHZVAIPQNI-UHFFFAOYSA-N
XLogP4.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.60
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-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,5-dimethoxyphenyl)propanediamide
CID 108955947
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108955874
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108955868) is N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)Nc2ccccc2OC(C)C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is KODUFHZVAIPQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-26(7-2)18-12-13-19(17(5)14-18)24-22(27)15-23(28)25-20-10-8-9-11-21(20)29-16(3)4/h8-14,16H,6-7,15H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 397.52 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108955868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).