ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate

C15H19BrN2O4 — CID 9208190

IUPACethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O4/c1-3-18(10-13(19)17-15(21)22-4-2)14(20)9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,19,21)
InChIKeyCVSCKVGFNIZSSV-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.11
Rot. Bonds6

About ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate (PubChem CID 9208190) has the molecular formula C15H19BrN2O4 and a molecular weight of 371.23 g/mol. Its IUPAC name is ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate
PubChem CID9208190
Molecular FormulaC15H19BrN2O4
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC Nameethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O4/c1-3-18(10-13(19)17-15(21)22-4-2)14(20)9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,19,21)
InChIKeyCVSCKVGFNIZSSV-UHFFFAOYSA-N
XLogP2.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342519
ethyl N-[2-[ethyl-(5-methylthiophene-2-carbonyl)amino]acetyl]carbamate
CID 9324265
N-(3-amino-3-sulfanylidenepropyl)-2-(4-bromophenyl)-N-ethylacetamide
CID 54988811
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 55316083
ethyl N-[(4-bromophenyl)methylcarbamothioyl]carbamate
CID 71758606
ethyl N-[2-[(2,5-dichlorobenzoyl)-ethylamino]acetyl]carbamate
CID 9115326
ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78809159
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate (CID 9208190) is ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate?
The InChIKey is CVSCKVGFNIZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4/c1-3-18(10-13(19)17-15(21)22-4-2)14(20)9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,17,19,21).
What are the key properties of ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate has a molecular weight of 371.23 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 9208190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).