tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate

C16H23BrN2O3 — CID 110668964

IUPACtert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC(=O)c1cccc(Br)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23BrN2O3/c1-15(2,3)22-14(21)19-16(4,5)10-18-13(20)11-7-6-8-12(17)9-11/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyDYYCCXHXRDICCZ-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.48
Rot. Bonds4

About tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 110668964) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID110668964
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Nametert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC(=O)c1cccc(Br)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23BrN2O3/c1-15(2,3)22-14(21)19-16(4,5)10-18-13(20)11-7-6-8-12(17)9-11/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyDYYCCXHXRDICCZ-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(3,4-difluorobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668981
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
CID 130552052
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
tert-butyl N-[2-[2-[(3-bromobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917313
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
tert-butyl N-[5-[(3-bromobenzoyl)amino]-2-methoxyphenyl]carbamate
CID 46461019
N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-bromobenzamide
CID 104579484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate (CID 110668964) is tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate is CC(C)(CNC(=O)c1cccc(Br)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is DYYCCXHXRDICCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-15(2,3)22-14(21)19-16(4,5)10-18-13(20)11-7-6-8-12(17)9-11/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 371.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 110668964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).