N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide

C22H29N3O2 — CID 108946023

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-5-25(6-2)19-12-13-20(16(3)14-19)24-22(27)15-21(26)23-17(4)18-10-8-7-9-11-18/h7-14,17H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyQEAHXSHAMGBLFT-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.05
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide

N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide (PubChem CID 108946023) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
PubChem CID108946023
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-5-25(6-2)19-12-13-20(16(3)14-19)24-22(27)15-21(26)23-17(4)18-10-8-7-9-11-18/h7-14,17H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyQEAHXSHAMGBLFT-UHFFFAOYSA-N
XLogP4.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-3-(1-phenylethylamino)propanamide
CID 109020375
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955868
(Z)-2-cyano-3-[4-(diethylamino)-2-methylanilino]-N-(1-phenylethyl)prop-2-enamide
CID 108840164
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide
CID 109005120
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
CID 113176846
N-[4-(diethylamino)-2-methylphenyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110428231

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide (CID 108946023) is N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)NC(C)c2ccccc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide?
The InChIKey is QEAHXSHAMGBLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-25(6-2)19-12-13-20(16(3)14-19)24-22(27)15-21(26)23-17(4)18-10-8-7-9-11-18/h7-14,17H,5-6,15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide has a molecular weight of 367.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108946023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).