N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide

C14H19N3O2 — CID 60887226

IUPACN-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
SMILESCCC(NC)c1ccc(OCC(=O)NCC#N)cc1
InChIInChI=1S/C14H19N3O2/c1-3-13(16-2)11-4-6-12(7-5-11)19-10-14(18)17-9-8-15/h4-7,13,16H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyOZMCOVNGSCURAM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds7

About N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide

N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide (PubChem CID 60887226) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
PubChem CID60887226
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
SMILESCCC(NC)c1ccc(OCC(=O)NCC#N)cc1
InChIInChI=1S/C14H19N3O2/c1-3-13(16-2)11-4-6-12(7-5-11)19-10-14(18)17-9-8-15/h4-7,13,16H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyOZMCOVNGSCURAM-UHFFFAOYSA-N
XLogP1.38
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.38
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

N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
N-ethyl-2-[4-[1-(ethylamino)propyl]phenoxy]acetamide
CID 43280159
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
ethyl 4-[2-(cyanomethylamino)-2-oxoethoxy]benzoate
CID 63118906
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78936989
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 78934270
2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
CID 43280073
N-(cyanomethyl)-2-naphthalen-2-yloxyacetamide
CID 51103110
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
(E)-3-[4-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 29017763
N-cyclopropyl-N-methyl-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 61488716

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide (CID 60887226) is N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide is CCC(NC)c1ccc(OCC(=O)NCC#N)cc1.
What is the InChIKey of N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide?
The InChIKey is OZMCOVNGSCURAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-13(16-2)11-4-6-12(7-5-11)19-10-14(18)17-9-8-15/h4-7,13,16H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide?
N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-[1-(methylamino)propyl]phenoxy]acetamide is sourced from PubChem (CID 60887226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).