N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

C16H25N3O2 — CID 54831682

IUPACN-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCN(CC)C(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)15(20)11-17-13-8-7-9-14(10-13)18-16(21)12(3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,21)
InChIKeyWVZJGFWCRZUJEO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.56
Rot. Bonds7

About N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54831682) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
PubChem CID54831682
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCN(CC)C(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-5-19(6-2)15(20)11-17-13-8-7-9-14(10-13)18-16(21)12(3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,21)
InChIKeyWVZJGFWCRZUJEO-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831572
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54836795
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
N,N-diethyl-2-(3-ethynylanilino)acetamide
CID 28564060
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (CID 54831682) is N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is CCN(CC)C(=O)CNc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is WVZJGFWCRZUJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-19(6-2)15(20)11-17-13-8-7-9-14(10-13)18-16(21)12(3)4/h7-10,12,17H,5-6,11H2,1-4H3,(H,18,21).
What are the key properties of N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54831682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).