3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

C15H23N3O2 — CID 54845823

IUPAC3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCNC(=O)CNc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-16-14(19)11-17-13-8-5-12(6-9-13)7-10-15(20)18(2)3/h5-6,8-9,17H,4,7,10-11H2,1-3H3,(H,16,19)
InChIKeyBVBUICQRDCLNOX-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.26
Rot. Bonds7

About 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54845823) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54845823
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCNC(=O)CNc1ccc(CCC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-16-14(19)11-17-13-8-5-12(6-9-13)7-10-15(20)18(2)3/h5-6,8-9,17H,4,7,10-11H2,1-3H3,(H,16,19)
InChIKeyBVBUICQRDCLNOX-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]phenyl]propanamide
CID 54845496
N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide
CID 54845795
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
N-propyl-2-(4-propylanilino)acetamide
CID 43216175
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845563
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
N,N-dimethyl-3-[4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54845564
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
3-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845631
3-[4-[[2-[3-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845953
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-phenylpropanamide
CID 42643106

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54845823) is 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is CCNC(=O)CNc1ccc(CCC(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is BVBUICQRDCLNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-16-14(19)11-17-13-8-5-12(6-9-13)7-10-15(20)18(2)3/h5-6,8-9,17H,4,7,10-11H2,1-3H3,(H,16,19).
What are the key properties of 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54845823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).