N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide

C18H29N3O2 — CID 113001640

IUPACN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)CC(C)C)c(C)c1
InChIInChI=1S/C18H29N3O2/c1-6-21(7-2)15-8-9-16(14(5)11-15)20-18(23)12-19-17(22)10-13(3)4/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,19,22)(H,20,23)
InChIKeySTYSNSBHYQWTKD-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.94
Rot. Bonds8

About N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide

N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 113001640) 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]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
PubChem CID113001640
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
SMILESCCN(CC)c1ccc(NC(=O)CNC(=O)CC(C)C)c(C)c1
InChIInChI=1S/C18H29N3O2/c1-6-21(7-2)15-8-9-16(14(5)11-15)20-18(23)12-19-17(22)10-13(3)4/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,19,22)(H,20,23)
InChIKeySTYSNSBHYQWTKD-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
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-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
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
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide (CID 113001640) is N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide is CCN(CC)c1ccc(NC(=O)CNC(=O)CC(C)C)c(C)c1.
What is the InChIKey of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is STYSNSBHYQWTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-21(7-2)15-8-9-16(14(5)11-15)20-18(23)12-19-17(22)10-13(3)4/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide?
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 319.45 g/mol, XLogP of 2.94, 8 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]-3-methylbutanamide is sourced from PubChem (CID 113001640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).