methyl 2-[(4-cyanobenzoyl)-propylamino]acetate

C14H16N2O3 — CID 60766494

IUPACmethyl 2-[(4-cyanobenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O3/c1-3-8-16(10-13(17)19-2)14(18)12-6-4-11(9-15)5-7-12/h4-7H,3,8,10H2,1-2H3
InChIKeyPCWOKZDZMKYKPF-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-[(4-cyanobenzoyl)-propylamino]acetate

methyl 2-[(4-cyanobenzoyl)-propylamino]acetate (PubChem CID 60766494) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-[(4-cyanobenzoyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-cyanobenzoyl)-propylamino]acetate
PubChem CID60766494
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-[(4-cyanobenzoyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O3/c1-3-8-16(10-13(17)19-2)14(18)12-6-4-11(9-15)5-7-12/h4-7H,3,8,10H2,1-2H3
InChIKeyPCWOKZDZMKYKPF-UHFFFAOYSA-N
XLogP1.58
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
methyl 2-[(4-amino-3-methoxybenzoyl)-propylamino]acetate
CID 104782582
methyl 2-[propyl(pyrimidine-5-carbonyl)amino]acetate
CID 104626674
3-[(4-cyanobenzoyl)-ethylamino]propanoic acid
CID 54899068
N-[(4-cyanophenyl)methyl]-4-cyclopentyloxy-N-propylbenzamide
CID 55609453
methyl 2-[propyl(pyridine-3-carbonyl)amino]acetate
CID 55005855
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
4-benzamido-N-[(4-cyanophenyl)methyl]-N-propylbenzamide
CID 55593914
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
CID 60959275
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyanobenzoyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(4-cyanobenzoyl)-propylamino]acetate (CID 60766494) is methyl 2-[(4-cyanobenzoyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-cyanobenzoyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-cyanobenzoyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of methyl 2-[(4-cyanobenzoyl)-propylamino]acetate?
The InChIKey is PCWOKZDZMKYKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-8-16(10-13(17)19-2)14(18)12-6-4-11(9-15)5-7-12/h4-7H,3,8,10H2,1-2H3.
What are the key properties of methyl 2-[(4-cyanobenzoyl)-propylamino]acetate?
methyl 2-[(4-cyanobenzoyl)-propylamino]acetate has a molecular weight of 260.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyanobenzoyl)-propylamino]acetate is sourced from PubChem (CID 60766494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).