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

C22H29N3O2 — CID 108953999

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C22H29N3O2/c1-5-17-10-8-9-11-20(17)24-22(27)15-21(26)23-19-13-12-18(14-16(19)4)25(6-2)7-3/h8-14H,5-7,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyBJCNNIVVYURVSZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.37
Rot. Bonds8

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

N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide (PubChem CID 108953999) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
PubChem CID108953999
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C22H29N3O2/c1-5-17-10-8-9-11-20(17)24-22(27)15-21(26)23-19-13-12-18(14-16(19)4)25(6-2)7-3/h8-14H,5-7,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyBJCNNIVVYURVSZ-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955868
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide (CID 108953999) is N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide is CCc1ccccc1NC(=O)CC(=O)Nc1ccc(N(CC)CC)cc1C.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide?
The InChIKey is BJCNNIVVYURVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-17-10-8-9-11-20(17)24-22(27)15-21(26)23-19-13-12-18(14-16(19)4)25(6-2)7-3/h8-14H,5-7,15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide has a molecular weight of 367.49 g/mol, XLogP of 4.37, 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'-(2-ethylphenyl)propanediamide is sourced from PubChem (CID 108953999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).