ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate

C15H19N3O3 — CID 61008516

IUPACethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H19N3O3/c1-3-8-18(11-14(19)21-4-2)15(20)17-13-7-5-6-12(9-13)10-16/h5-7,9H,3-4,8,11H2,1-2H3,(H,17,20)
InChIKeyUWQXBVVKBZGYSP-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.37
Rot. Bonds6

About ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate

ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate (PubChem CID 61008516) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
PubChem CID61008516
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H19N3O3/c1-3-8-18(11-14(19)21-4-2)15(20)17-13-7-5-6-12(9-13)10-16/h5-7,9H,3-4,8,11H2,1-2H3,(H,17,20)
InChIKeyUWQXBVVKBZGYSP-UHFFFAOYSA-N
XLogP2.37
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyanophenyl)carbamoyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814069
1-N-(3-cyanophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056658
methyl 3-[(3-cyanophenyl)carbamoyl-ethylamino]propanoate
CID 61010490
ethyl 2-[(3,4-dichlorophenyl)carbamoyl-propylamino]acetate
CID 61008817
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
methyl 2-[[(3-cyanophenyl)carbamoyl-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 811012
ethyl 4-[[2-(3-cyanoanilino)-2-oxoethyl]amino]butanoate
CID 60648303
ethyl 2-[4-(3-cyanoanilino)-4-oxobutyl]sulfanylacetate
CID 43618394
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate?
The IUPAC name of ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate (CID 61008516) is ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate?
The InChIKey is UWQXBVVKBZGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-8-18(11-14(19)21-4-2)15(20)17-13-7-5-6-12(9-13)10-16/h5-7,9H,3-4,8,11H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate?
ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate has a molecular weight of 289.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-cyanophenyl)carbamoyl-propylamino]acetate is sourced from PubChem (CID 61008516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).