(2-cyanophenyl)methyl 2-benzamidopropanoate

C18H16N2O3 — CID 42898245

IUPAC(2-cyanophenyl)methyl 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1C#N
InChIInChI=1S/C18H16N2O3/c1-13(20-17(21)14-7-3-2-4-8-14)18(22)23-12-16-10-6-5-9-15(16)11-19/h2-10,13H,12H2,1H3,(H,20,21)
InChIKeyURAAWZFLEAFOJX-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds5

About (2-cyanophenyl)methyl 2-benzamidopropanoate

(2-cyanophenyl)methyl 2-benzamidopropanoate (PubChem CID 42898245) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2-benzamidopropanoate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2-benzamidopropanoate
PubChem CID42898245
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2-cyanophenyl)methyl 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1C#N
InChIInChI=1S/C18H16N2O3/c1-13(20-17(21)14-7-3-2-4-8-14)18(22)23-12-16-10-6-5-9-15(16)11-19/h2-10,13H,12H2,1H3,(H,20,21)
InChIKeyURAAWZFLEAFOJX-UHFFFAOYSA-N
XLogP2.42
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyanophenyl)methyl (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate
CID 8880087
(2-cyanophenyl)methyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate
CID 8941440
methyl (2S)-2-benzamidopropanoate
CID 6364617
propyl 2-benzamidopropanoate
CID 71628004
(2-cyanophenyl)methyl carbamate
CID 66644204
prop-2-enyl 2-benzamidopropanoate
CID 2910482
[2-benzamidopropanoyloxy(dimethyl)silyl] 2-benzamidopropanoate
CID 11396593
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
(2-cyanophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592473
(2-cyanophenyl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 8559387

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2-benzamidopropanoate?
The IUPAC name of (2-cyanophenyl)methyl 2-benzamidopropanoate (CID 42898245) is (2-cyanophenyl)methyl 2-benzamidopropanoate.
What is the SMILES notation for (2-cyanophenyl)methyl 2-benzamidopropanoate?
The canonical SMILES for (2-cyanophenyl)methyl 2-benzamidopropanoate is CC(NC(=O)c1ccccc1)C(=O)OCc1ccccc1C#N.
What is the InChIKey of (2-cyanophenyl)methyl 2-benzamidopropanoate?
The InChIKey is URAAWZFLEAFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13(20-17(21)14-7-3-2-4-8-14)18(22)23-12-16-10-6-5-9-15(16)11-19/h2-10,13H,12H2,1H3,(H,20,21).
What are the key properties of (2-cyanophenyl)methyl 2-benzamidopropanoate?
(2-cyanophenyl)methyl 2-benzamidopropanoate has a molecular weight of 308.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2-benzamidopropanoate is sourced from PubChem (CID 42898245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).