[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate

C14H17BrN2O4 — CID 8574417

IUPAC[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate
SMILESCN(C)C(=O)COC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O4/c1-17(2)12(18)9-21-13(19)7-8-16-14(20)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,20)
InChIKeyKFMVAKSVKPMXRW-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.20
Rot. Bonds6

About [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate

[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate (PubChem CID 8574417) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate
PubChem CID8574417
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate
SMILESCN(C)C(=O)COC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O4/c1-17(2)12(18)9-21-13(19)7-8-16-14(20)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,20)
InChIKeyKFMVAKSVKPMXRW-UHFFFAOYSA-N
XLogP1.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827795
ethyl 3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 115283275
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574538
(3-methylphenyl)methyl 3-[(4-bromobenzoyl)amino]propanoate
CID 8574720
4-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119731255
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
4-bromo-N-[3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 46653083
[2-(4-bromophenyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734293
(4-fluorophenyl) 3-[(4-bromobenzoyl)amino]propanoate
CID 26687697
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827325

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate (CID 8574417) is [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate is CN(C)C(=O)COC(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate?
The InChIKey is KFMVAKSVKPMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-17(2)12(18)9-21-13(19)7-8-16-14(20)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,20).
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate?
[2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate has a molecular weight of 357.20 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate is sourced from PubChem (CID 8574417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).