N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide

C16H25N3O2 — CID 119439887

IUPACN-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCNCc1ccccc1NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-5-17-10-12-8-6-7-9-13(12)19-14(20)11-18-15(21)16(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyGQBLLWHQZGFJSO-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 119439887) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID119439887
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCCNCc1ccccc1NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-5-17-10-12-8-6-7-9-13(12)19-14(20)11-18-15(21)16(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyGQBLLWHQZGFJSO-UHFFFAOYSA-N
XLogP1.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424
2-[(4-chlorophenyl)methylcarbamoylamino]-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439500
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31563060

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 119439887) is N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide is CCNCc1ccccc1NC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is GQBLLWHQZGFJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-17-10-12-8-6-7-9-13(12)19-14(20)11-18-15(21)16(2,3)4/h6-9,17H,5,10-11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 119439887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).