methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate

C14H19BrN2O3 — CID 61036321

IUPACmethyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)Nc1ccccc1Br)CC(=O)OC
InChIInChI=1S/C14H19BrN2O3/c1-3-8-17(10-14(19)20-2)9-13(18)16-12-7-5-4-6-11(12)15/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyBWSDIVMURBMSSU-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.27
Rot. Bonds7

About methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate

methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate (PubChem CID 61036321) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
PubChem CID61036321
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Namemethyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)Nc1ccccc1Br)CC(=O)OC
InChIInChI=1S/C14H19BrN2O3/c1-3-8-17(10-14(19)20-2)9-13(18)16-12-7-5-4-6-11(12)15/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyBWSDIVMURBMSSU-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(2-bromophenyl)butanamide
CID 732405
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
2-[acetyl(pentyl)amino]-N-(2-bromophenyl)acetamide
CID 113166810
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N-(2-bromophenyl)acetamide
CID 63285065
N-[3-[[2-(dipropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54818982
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
CID 108952078
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate (CID 61036321) is methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)Nc1ccccc1Br)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate?
The InChIKey is BWSDIVMURBMSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-3-8-17(10-14(19)20-2)9-13(18)16-12-7-5-4-6-11(12)15/h4-7H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate has a molecular weight of 343.22 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 61036321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).