2-methylpropyl N-[(3-bromophenyl)methyl]carbamate

C12H16BrNO2 — CID 55029076

IUPAC2-methylpropyl N-[(3-bromophenyl)methyl]carbamate
SMILESCC(C)COC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(2)8-16-12(15)14-7-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyMJRROHZVIGDBLA-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.33
Rot. Bonds4

About 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate

2-methylpropyl N-[(3-bromophenyl)methyl]carbamate (PubChem CID 55029076) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(3-bromophenyl)methyl]carbamate
PubChem CID55029076
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-methylpropyl N-[(3-bromophenyl)methyl]carbamate
SMILESCC(C)COC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(2)8-16-12(15)14-7-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyMJRROHZVIGDBLA-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromophenyl)methanamine;2-methylpropyl N-[(4-bromophenyl)methyl]carbamate;2-methylpropyl carbonochloridate;hydrochloride
CID 157169700
2-methylpropyl N-[[3-[(5-bromo-2-carbamoyl-1-benzofuran-3-yl)carbamoyl]phenyl]methyl]carbamate
CID 68982228
[3-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2-methylpropyl] N-benzylcarbamate
CID 121431629
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
2-methylpropyl N-[[4-(2-aminoethyl)phenyl]methyl]carbamate
CID 55079122
4-[(2-methylpropoxycarbonylamino)methyl]benzoic acid
CID 43176413
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
2-methylpropyl N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]methyl]carbamate
CID 91749297
1-(methylcarbamoyloxy)propan-2-yl N-[[3-[(methoxycarbonylamino)methyl]phenyl]methyl]carbamate
CID 118911894
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate?
The IUPAC name of 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate (CID 55029076) is 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate is CC(C)COC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate?
The InChIKey is MJRROHZVIGDBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(2)8-16-12(15)14-7-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate?
2-methylpropyl N-[(3-bromophenyl)methyl]carbamate has a molecular weight of 286.17 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(3-bromophenyl)methyl]carbamate is sourced from PubChem (CID 55029076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).