methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate

C16H20N2O4 — CID 78884771

IUPACmethyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C(C)Oc1ccccc1C#N)C(C)C
InChIInChI=1S/C16H20N2O4/c1-11(2)18(10-15(19)21-4)16(20)12(3)22-14-8-6-5-7-13(14)9-17/h5-8,11-12H,10H2,1-4H3
InChIKeyNQWXENLFCBCFTC-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.74
Rot. Bonds6

About methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate

methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate (PubChem CID 78884771) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
PubChem CID78884771
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C(C)Oc1ccccc1C#N)C(C)C
InChIInChI=1S/C16H20N2O4/c1-11(2)18(10-15(19)21-4)16(20)12(3)22-14-8-6-5-7-13(14)9-17/h5-8,11-12H,10H2,1-4H3
InChIKeyNQWXENLFCBCFTC-UHFFFAOYSA-N
XLogP1.74
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
CID 43423964
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
methyl 3-(2-cyanophenoxy)butanoate
CID 43536058
2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
methyl 2-[2-(4-bromophenoxy)propanoyl-propan-2-ylamino]acetate
CID 60765971
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(2-cyanophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576582
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107483315
2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 46546464
(2R)-2-(2-cyanophenoxy)-N-cyclohexyl-N-prop-2-ynylpropanamide
CID 52509625

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate (CID 78884771) is methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate is COC(=O)CN(C(=O)C(C)Oc1ccccc1C#N)C(C)C.
What is the InChIKey of methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate?
The InChIKey is NQWXENLFCBCFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(2)18(10-15(19)21-4)16(20)12(3)22-14-8-6-5-7-13(14)9-17/h5-8,11-12H,10H2,1-4H3.
What are the key properties of methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate?
methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate has a molecular weight of 304.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate is sourced from PubChem (CID 78884771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).