ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate

C14H20N2O3 — CID 54915824

IUPACethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(N)c1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)9-16(10(2)3)14(18)11-6-5-7-12(15)8-11/h5-8,10H,4,9,15H2,1-3H3
InChIKeyFWCQVBXBGQYWST-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.68
Rot. Bonds5

About ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate

ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate (PubChem CID 54915824) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
PubChem CID54915824
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(N)c1)C(C)C
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)9-16(10(2)3)14(18)11-6-5-7-12(15)8-11/h5-8,10H,4,9,15H2,1-3H3
InChIKeyFWCQVBXBGQYWST-UHFFFAOYSA-N
XLogP1.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
CID 61021441
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
ethyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 55983911
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
3-amino-N-(2-cyanoethyl)-N-propan-2-ylbenzamide
CID 43575153

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate (CID 54915824) is ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1cccc(N)c1)C(C)C.
What is the InChIKey of ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate?
The InChIKey is FWCQVBXBGQYWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-13(17)9-16(10(2)3)14(18)11-6-5-7-12(15)8-11/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 54915824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).