[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

C19H25BrN2O4 — CID 35643140

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC1CCCCCCC1
InChIInChI=1S/C19H25BrN2O4/c20-15-10-8-14(9-11-15)19(25)21-12-18(24)26-13-17(23)22-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13H2,(H,21,25)(H,22,23)
InChIKeyQQPLRSLYDJYWKK-UHFFFAOYSA-N
MW425.32 g/mol
LogP2.95
Rot. Bonds6

About [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 35643140) has the molecular formula C19H25BrN2O4 and a molecular weight of 425.32 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID35643140
Molecular FormulaC19H25BrN2O4
Molecular Weight425.32 g/mol
Exact Mass424.10
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC1CCCCCCC1
InChIInChI=1S/C19H25BrN2O4/c20-15-10-8-14(9-11-15)19(25)21-12-18(24)26-13-17(23)22-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13H2,(H,21,25)(H,22,23)
InChIKeyQQPLRSLYDJYWKK-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 55317696
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 35643140) is [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is QQPLRSLYDJYWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O4/c20-15-10-8-14(9-11-15)19(25)21-12-18(24)26-13-17(23)22-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13H2,(H,21,25)(H,22,23).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 425.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 35643140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).