N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide

C16H23N3O2 — CID 63640138

IUPACN-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
SMILESCCCNC(C)c1ccc(C)cc1OCC(=O)NCC#N
InChIInChI=1S/C16H23N3O2/c1-4-8-18-13(3)14-6-5-12(2)10-15(14)21-11-16(20)19-9-7-17/h5-6,10,13,18H,4,8-9,11H2,1-3H3,(H,19,20)
InChIKeyOQFOYHJYCQQCSM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.07
Rot. Bonds8

About N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide

N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide (PubChem CID 63640138) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
PubChem CID63640138
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
SMILESCCCNC(C)c1ccc(C)cc1OCC(=O)NCC#N
InChIInChI=1S/C16H23N3O2/c1-4-8-18-13(3)14-6-5-12(2)10-15(14)21-11-16(20)19-9-7-17/h5-6,10,13,18H,4,8-9,11H2,1-3H3,(H,19,20)
InChIKeyOQFOYHJYCQQCSM-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]-N-propylacetamide
CID 63640126
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 102947684
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
propan-2-yl 2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetate
CID 63641331
5-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]pentanenitrile
CID 63640292
N-[1-[2-(2-methoxyethoxy)-4-methylphenyl]ethyl]propan-1-amine
CID 55246297
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
CID 63066740
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2-cyanoethyl)acetamide
CID 78946994
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
2-[5-methoxy-2-[1-(propylamino)ethyl]phenoxy]-N-methylacetamide
CID 82000648
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide (CID 63640138) is N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide is CCCNC(C)c1ccc(C)cc1OCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide?
The InChIKey is OQFOYHJYCQQCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-8-18-13(3)14-6-5-12(2)10-15(14)21-11-16(20)19-9-7-17/h5-6,10,13,18H,4,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide?
N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 63640138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).