N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide

C16H24N2O2 — CID 115894064

IUPACN-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
SMILESC=C(C)COCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)11-20-9-8-17-13(3)15-6-5-7-16(10-15)18-14(4)19/h5-7,10,13,17H,1,8-9,11H2,2-4H3,(H,18,19)
InChIKeyCDYGIQNTLJKUAX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.89
Rot. Bonds8

About N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide

N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide (PubChem CID 115894064) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
PubChem CID115894064
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
SMILESC=C(C)COCCNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H24N2O2/c1-12(2)11-20-9-8-17-13(3)15-6-5-7-16(10-15)18-14(4)19/h5-7,10,13,17H,1,8-9,11H2,2-4H3,(H,18,19)
InChIKeyCDYGIQNTLJKUAX-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-[2-(3-methoxypropoxy)ethylamino]ethyl]phenyl]acetamide
CID 103178645
N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
N-[3-[1-[3-(2-methoxyethoxy)propylamino]ethyl]phenyl]acetamide
CID 43206933
N-[3-[1-(3-propoxypropylamino)ethyl]phenyl]acetamide
CID 82940339
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide (CID 115894064) is N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide is C=C(C)COCCNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide?
The InChIKey is CDYGIQNTLJKUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)11-20-9-8-17-13(3)15-6-5-7-16(10-15)18-14(4)19/h5-7,10,13,17H,1,8-9,11H2,2-4H3,(H,18,19).
What are the key properties of N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide?
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 115894064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).