2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide

C14H19N3O2 — CID 43221379

IUPAC2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccccc1OCC#N
InChIInChI=1S/C14H19N3O2/c1-2-8-17-14(18)11-16-10-12-5-3-4-6-13(12)19-9-7-15/h3-6,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyOSMCGPWCXVKGPS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.20
Rot. Bonds8

About 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide

2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide (PubChem CID 43221379) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
PubChem CID43221379
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccccc1OCC#N
InChIInChI=1S/C14H19N3O2/c1-2-8-17-14(18)11-16-10-12-5-3-4-6-13(12)19-9-7-15/h3-6,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyOSMCGPWCXVKGPS-UHFFFAOYSA-N
XLogP1.20
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
2-[[2-(cyanomethoxy)phenyl]methylamino]ethyl carbamate
CID 83211795
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 112690620
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767
3-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111881700
4-[[2-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylbutanamide
CID 112731938
2-[(2-chloro-3-pyridinyl)methylamino]-N-propylacetamide;hydrochloride
CID 115614180
2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
CID 107411817
N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
CID 43221810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide (CID 43221379) is 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide is CCCNC(=O)CNCc1ccccc1OCC#N.
What is the InChIKey of 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide?
The InChIKey is OSMCGPWCXVKGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-8-17-14(18)11-16-10-12-5-3-4-6-13(12)19-9-7-15/h3-6,16H,2,8-11H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide?
2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide is sourced from PubChem (CID 43221379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).