N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide

C16H26N2O2 — CID 65047227

IUPACN-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
SMILESCOCC(NC(C)c1cccc(NC(C)=O)c1)C(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)16(10-20-5)17-12(3)14-7-6-8-15(9-14)18-13(4)19/h6-9,11-12,16-17H,10H2,1-5H3,(H,18,19)
InChIKeyJRSCEXJCDZEAOL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.97
Rot. Bonds7

About N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide (PubChem CID 65047227) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
PubChem CID65047227
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
SMILESCOCC(NC(C)c1cccc(NC(C)=O)c1)C(C)C
InChIInChI=1S/C16H26N2O2/c1-11(2)16(10-20-5)17-12(3)14-7-6-8-15(9-14)18-13(4)19/h6-9,11-12,16-17H,10H2,1-5H3,(H,18,19)
InChIKeyJRSCEXJCDZEAOL-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 81382071
N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047182
N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide
CID 82710844
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-[3-(2-methoxyethoxy)propylamino]ethyl]phenyl]acetamide
CID 43206933
methyl 4-[1-(3-acetamidophenyl)ethylamino]butanoate
CID 60782458
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-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
CID 103903900
N-[3-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethyl]phenyl]acetamide
CID 62844299
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide (CID 65047227) is N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide is COCC(NC(C)c1cccc(NC(C)=O)c1)C(C)C.
What is the InChIKey of N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is JRSCEXJCDZEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)16(10-20-5)17-12(3)14-7-6-8-15(9-14)18-13(4)19/h6-9,11-12,16-17H,10H2,1-5H3,(H,18,19).
What are the key properties of N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 65047227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).