N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide

C16H25N3O2 — CID 110407235

IUPACN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-12(6-2)16(21)17-11-15(20)18-13-7-9-14(10-8-13)19(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyKJZDMYNIRPXBEW-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.24
Rot. Bonds7

About N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide (PubChem CID 110407235) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
PubChem CID110407235
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-5-12(6-2)16(21)17-11-15(20)18-13-7-9-14(10-8-13)19(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyKJZDMYNIRPXBEW-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.24
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-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
CID 2455475
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 112999463
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110619451
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110407244
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
CID 40803430
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
(2E)-2-benzylidene-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]butanamide
CID 110615408
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110407085

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide (CID 110407235) is N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide?
The InChIKey is KJZDMYNIRPXBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-12(6-2)16(21)17-11-15(20)18-13-7-9-14(10-8-13)19(3)4/h7-10,12H,5-6,11H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide?
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide has a molecular weight of 291.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide is sourced from PubChem (CID 110407235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).