ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate

C16H24N2O3 — CID 61022059

IUPACethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(N(C)C)c1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-6-21-15(19)11-18(12(2)3)16(20)13-8-7-9-14(10-13)17(4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyRSXKVWIXHZMODU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.17
Rot. Bonds6

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

ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate (PubChem CID 61022059) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
PubChem CID61022059
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccc(N(C)C)c1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-6-21-15(19)11-18(12(2)3)16(20)13-8-7-9-14(10-13)17(4)5/h7-10,12H,6,11H2,1-5H3
InChIKeyRSXKVWIXHZMODU-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
N-(2-aminoethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 55151142
ethyl 2-[[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 55983911
N-(2-chloroethyl)-3-(dimethylamino)-N-propan-2-ylbenzamide
CID 63394157
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
CID 61021441
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 5-[3-(dimethylamino)phenyl]-5-oxopentanoate
CID 24727630
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
butyl 2-[(3-butylbenzoyl)-propan-2-ylamino]acetate
CID 23465162

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate (CID 61022059) is ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1cccc(N(C)C)c1)C(C)C.
What is the InChIKey of ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate?
The InChIKey is RSXKVWIXHZMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-21-15(19)11-18(12(2)3)16(20)13-8-7-9-14(10-13)17(4)5/h7-10,12H,6,11H2,1-5H3.
What are the key properties of ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate?
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate has a molecular weight of 292.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61022059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).