N-(3-methoxypropyl)-3-phenoxypropanimidate

C13H18NO3- — CID 145047903

IUPACN-(3-methoxypropyl)-3-phenoxypropanimidate
SMILESCOCCC/N=C(\[O-])CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-16-10-5-9-14-13(15)8-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15)/p-1
InChIKeyGXXNIHFFQPVHGK-UHFFFAOYSA-M
MW236.29 g/mol
LogP1.25
Rot. Bonds8

About N-(3-methoxypropyl)-3-phenoxypropanimidate

N-(3-methoxypropyl)-3-phenoxypropanimidate (PubChem CID 145047903) has the molecular formula C13H18NO3- and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-phenoxypropanimidate.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-phenoxypropanimidate
PubChem CID145047903
Molecular FormulaC13H18NO3-
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(3-methoxypropyl)-3-phenoxypropanimidate
SMILESCOCCC/N=C(\[O-])CCOc1ccccc1
InChIInChI=1S/C13H19NO3/c1-16-10-5-9-14-13(15)8-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15)/p-1
InChIKeyGXXNIHFFQPVHGK-UHFFFAOYSA-M
XLogP1.25
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(3-methoxypropyl)-3-(2-phenoxyethyl)guanidine
CID 116513779
1-methoxy-5-phenoxypentan-3-one
CID 114998471
N'-(3-phenoxypropyl)propanimidamide
CID 63175356
5-methoxy-1-phenoxypentan-2-one
CID 115601921
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
3-ethyl-2-[3-(2-methoxyethoxy)propyl]-1-methyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111273444
1-tert-butyl-2-(3-phenoxypropyl)guanidine
CID 55068831
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-(3-phenoxypropyl)guanidine
CID 111418357
1-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]-3-(2-phenoxyethyl)guanidine
CID 111005999
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
CID 139679827
3-amino-1-benzyl-2-(3-methoxypropyl)-1-methylguanidine
CID 116512961

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-phenoxypropanimidate?
The IUPAC name of N-(3-methoxypropyl)-3-phenoxypropanimidate (CID 145047903) is N-(3-methoxypropyl)-3-phenoxypropanimidate.
What is the SMILES notation for N-(3-methoxypropyl)-3-phenoxypropanimidate?
The canonical SMILES for N-(3-methoxypropyl)-3-phenoxypropanimidate is COCCC/N=C(\[O-])CCOc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-3-phenoxypropanimidate?
The InChIKey is GXXNIHFFQPVHGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H19NO3/c1-16-10-5-9-14-13(15)8-11-17-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,14,15)/p-1.
What are the key properties of N-(3-methoxypropyl)-3-phenoxypropanimidate?
N-(3-methoxypropyl)-3-phenoxypropanimidate has a molecular weight of 236.29 g/mol, XLogP of 1.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-phenoxypropanimidate is sourced from PubChem (CID 145047903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).