N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide

C18H29N3O2 — CID 113001639

IUPACN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C18H29N3O2/c1-5-8-9-17(22)19-13-18(23)20-16-11-10-15(12-14(16)4)21(6-2)7-3/h10-12H,5-9,13H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyMIRJQRRBSLFFMV-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.09
Rot. Bonds9

About N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide

N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide (PubChem CID 113001639) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
PubChem CID113001639
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C18H29N3O2/c1-5-8-9-17(22)19-13-18(23)20-16-11-10-15(12-14(16)4)21(6-2)7-3/h10-12H,5-9,13H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyMIRJQRRBSLFFMV-UHFFFAOYSA-N
XLogP3.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 113001657
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide?
The IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide (CID 113001639) is N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide.
What is the SMILES notation for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide?
The canonical SMILES for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide is CCCCC(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1C.
What is the InChIKey of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide?
The InChIKey is MIRJQRRBSLFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-8-9-17(22)19-13-18(23)20-16-11-10-15(12-14(16)4)21(6-2)7-3/h10-12H,5-9,13H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide?
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide has a molecular weight of 319.45 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 113001639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).