N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide

C18H29N3O2 — CID 108951161

IUPACN-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C18H29N3O2/c1-6-20(7-2)15-10-11-16(14(5)12-15)19-17(22)13-18(23)21(8-3)9-4/h10-12H,6-9,13H2,1-5H3,(H,19,22)
InChIKeyKOVWVCSUIVGPIZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.04
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide

N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide (PubChem CID 108951161) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
PubChem CID108951161
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C18H29N3O2/c1-6-20(7-2)15-10-11-16(14(5)12-15)19-17(22)13-18(23)21(8-3)9-4/h10-12H,6-9,13H2,1-5H3,(H,19,22)
InChIKeyKOVWVCSUIVGPIZ-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
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]butanamide
CID 837078
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 113001706
N-[4-(diethylamino)-2-methylphenyl]-N'-(1-phenylethyl)propanediamide
CID 108946023

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide (CID 108951161) is N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide is CCN(CC)C(=O)CC(=O)Nc1ccc(N(CC)CC)cc1C.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide?
The InChIKey is KOVWVCSUIVGPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-20(7-2)15-10-11-16(14(5)12-15)19-17(22)13-18(23)21(8-3)9-4/h10-12H,6-9,13H2,1-5H3,(H,19,22).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide?
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide has a molecular weight of 319.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide is sourced from PubChem (CID 108951161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).