N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide

C16H26N2O3 — CID 103784147

IUPACN-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
SMILESCOCCC(C)(O)CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O3/c1-12(17-11-16(3,20)8-9-21-4)14-6-5-7-15(10-14)18-13(2)19/h5-7,10,12,17,20H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyBSKQTITXMFBYIT-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.08
Rot. Bonds8

About N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide (PubChem CID 103784147) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
PubChem CID103784147
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
SMILESCOCCC(C)(O)CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H26N2O3/c1-12(17-11-16(3,20)8-9-21-4)14-6-5-7-15(10-14)18-13(2)19/h5-7,10,12,17,20H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyBSKQTITXMFBYIT-UHFFFAOYSA-N
XLogP2.08
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[3-[1-[3-(2-methoxyethoxy)propylamino]ethyl]phenyl]acetamide
CID 43206933
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
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
CID 81399857
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide (CID 103784147) is N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide is COCCC(C)(O)CNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide?
The InChIKey is BSKQTITXMFBYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(17-11-16(3,20)8-9-21-4)14-6-5-7-15(10-14)18-13(2)19/h5-7,10,12,17,20H,8-9,11H2,1-4H3,(H,18,19).
What are the key properties of N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 103784147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).