methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate

C19H18N2O4 — CID 139616417

IUPACmethyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccc(OCc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H18N2O4/c1-24-18(22)9-10-21-19(23)16-3-2-4-17(11-16)25-13-15-7-5-14(12-20)6-8-15/h2-8,11H,9-10,13H2,1H3,(H,21,23)
InChIKeyJNCAYMTXIPGFDZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.43
Rot. Bonds7

About methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate

methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate (PubChem CID 139616417) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
PubChem CID139616417
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cccc(OCc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H18N2O4/c1-24-18(22)9-10-21-19(23)16-3-2-4-17(11-16)25-13-15-7-5-14(12-20)6-8-15/h2-8,11H,9-10,13H2,1H3,(H,21,23)
InChIKeyJNCAYMTXIPGFDZ-UHFFFAOYSA-N
XLogP2.43
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
CID 90237587
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
(4-cyanophenyl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827849
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
(4-cyanophenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 31177127
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate (CID 139616417) is methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate is COC(=O)CCNC(=O)c1cccc(OCc2ccc(C#N)cc2)c1.
What is the InChIKey of methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate?
The InChIKey is JNCAYMTXIPGFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-18(22)9-10-21-19(23)16-3-2-4-17(11-16)25-13-15-7-5-14(12-20)6-8-15/h2-8,11H,9-10,13H2,1H3,(H,21,23).
What are the key properties of methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate?
methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate has a molecular weight of 338.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate is sourced from PubChem (CID 139616417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).