2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide

C16H23N3O2 — CID 43792120

IUPAC2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1ccc(OCC#N)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)10-15(16(20)18-3)19-11-13-4-6-14(7-5-13)21-9-8-17/h4-7,12,15,19H,9-11H2,1-3H3,(H,18,20)
InChIKeyUIMHGKZPPGDUHV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.84
Rot. Bonds8

About 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide

2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide (PubChem CID 43792120) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide
PubChem CID43792120
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NCc1ccc(OCC#N)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)10-15(16(20)18-3)19-11-13-4-6-14(7-5-13)21-9-8-17/h4-7,12,15,19H,9-11H2,1-3H3,(H,18,20)
InChIKeyUIMHGKZPPGDUHV-UHFFFAOYSA-N
XLogP1.84
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(cyanomethoxy)phenyl]methylamino]propanoate
CID 60781956
methyl 4-[[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]methyl]benzoate
CID 43750662
2-[4-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43776316
2-[(3,4-dihydroxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750577
2-[[4-(carboxymethoxy)phenyl]methylamino]-4-methylpentanoic acid
CID 102535707
2-[4-[(1-phenylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 63011584
2-[4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 61223958
2-[(3-fluoro-4-methylphenyl)methylamino]-N,4-dimethylpentanamide
CID 55245761
N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
CID 43242605
2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750741
(2R)-2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
CID 93355745

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide (CID 43792120) is 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NCc1ccc(OCC#N)cc1.
What is the InChIKey of 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide?
The InChIKey is UIMHGKZPPGDUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)10-15(16(20)18-3)19-11-13-4-6-14(7-5-13)21-9-8-17/h4-7,12,15,19H,9-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide?
2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide has a molecular weight of 289.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyanomethoxy)phenyl]methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 43792120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).