3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

C17H27N3O2 — CID 54813784

IUPAC3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCN(CC)CC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-20(6-2)13-16(21)18-15-9-7-8-14(12-15)10-11-17(22)19(3)4/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,18,21)
InChIKeyOVUJCGMDRJPZDM-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.99
Rot. Bonds8

About 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54813784) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54813784
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCCN(CC)CC(=O)Nc1cccc(CCC(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-20(6-2)13-16(21)18-15-9-7-8-14(12-15)10-11-17(22)19(3)4/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,18,21)
InChIKeyOVUJCGMDRJPZDM-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
ethyl (E)-4-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-4-oxobut-2-enoate
CID 43912125
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845657

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54813784) is 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is CCN(CC)CC(=O)Nc1cccc(CCC(=O)N(C)C)c1.
What is the InChIKey of 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is OVUJCGMDRJPZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-20(6-2)13-16(21)18-15-9-7-8-14(12-15)10-11-17(22)19(3)4/h7-9,12H,5-6,10-11,13H2,1-4H3,(H,18,21).
What are the key properties of 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54813784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).