ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate

C16H23BrN2O3 — CID 42959669

IUPACethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccccc1Br)CC(C)C
InChIInChI=1S/C16H23BrN2O3/c1-4-22-16(21)19-12(9-11(2)3)10-18-15(20)13-7-5-6-8-14(13)17/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeySPUBBFWUUJVGPD-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.34
Rot. Bonds7

About ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate (PubChem CID 42959669) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
PubChem CID42959669
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Nameethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccccc1Br)CC(C)C
InChIInChI=1S/C16H23BrN2O3/c1-4-22-16(21)19-12(9-11(2)3)10-18-15(20)13-7-5-6-8-14(13)17/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeySPUBBFWUUJVGPD-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(2S)-1-[(2-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929483
ethyl N-[(2S)-1-[(2-methoxybenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929569
ethyl N-[4-methyl-1-[(2-nitrobenzoyl)amino]pentan-2-yl]carbamate
CID 46432668
ethyl N-[1-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-4-methylpentan-2-yl]carbamate
CID 55645248
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
ethyl N-[1-[(2-chloro-4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959646
ethyl N-[4-methyl-1-[[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pentan-2-yl]carbamate
CID 46483038
ethyl N-[4-methyl-1-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]pentan-2-yl]carbamate
CID 55654849
ethyl N-[1-[(3-chloro-1H-indole-2-carbonyl)amino]-4-methylpentan-2-yl]carbamate
CID 55934184
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate (CID 42959669) is ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1ccccc1Br)CC(C)C.
What is the InChIKey of ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is SPUBBFWUUJVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-4-22-16(21)19-12(9-11(2)3)10-18-15(20)13-7-5-6-8-14(13)17/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 371.28 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2-bromobenzoyl)amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 42959669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).