3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide

C17H28N2O — CID 103917285

IUPAC3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCc1ccc(C(CC)NCC(C)(C)C(=O)NC)cc1
InChIInChI=1S/C17H28N2O/c1-6-13-8-10-14(11-9-13)15(7-2)19-12-17(3,4)16(20)18-5/h8-11,15,19H,6-7,12H2,1-5H3,(H,18,20)
InChIKeyDOBOSTOZCUSWRU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds7

About 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide

3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide (PubChem CID 103917285) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
PubChem CID103917285
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCc1ccc(C(CC)NCC(C)(C)C(=O)NC)cc1
InChIInChI=1S/C17H28N2O/c1-6-13-8-10-14(11-9-13)15(7-2)19-12-17(3,4)16(20)18-5/h8-11,15,19H,6-7,12H2,1-5H3,(H,18,20)
InChIKeyDOBOSTOZCUSWRU-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
CID 106250977
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
CID 65055646
N,2,2-trimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917282
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide (CID 103917285) is 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide is CCc1ccc(C(CC)NCC(C)(C)C(=O)NC)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide?
The InChIKey is DOBOSTOZCUSWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-13-8-10-14(11-9-13)15(7-2)19-12-17(3,4)16(20)18-5/h8-11,15,19H,6-7,12H2,1-5H3,(H,18,20).
What are the key properties of 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide?
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide has a molecular weight of 276.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103917285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).