tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate

C17H24BrNO3 — CID 157284369

IUPACtert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC1CCOc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNO3/c1-17(2,3)22-16(20)19-9-4-5-12-8-10-21-15-11-13(18)6-7-14(12)15/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyHUAJVVIIWPGQMQ-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.62
Rot. Bonds4

About tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate

tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate (PubChem CID 157284369) has the molecular formula C17H24BrNO3 and a molecular weight of 370.29 g/mol. Its IUPAC name is tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate
PubChem CID157284369
Molecular FormulaC17H24BrNO3
Molecular Weight370.29 g/mol
Exact Mass369.09
IUPAC Nametert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC1CCOc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNO3/c1-17(2,3)22-16(20)19-9-4-5-12-8-10-21-15-11-13(18)6-7-14(12)15/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,20)
InChIKeyHUAJVVIIWPGQMQ-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
CID 118597927
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CID 68922177
tert-butyl N-[(6-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl)methyl]carbamate
CID 118996723
6-bromo-2,3-dihydro-1-benzofuran-3-amine;tert-butyl N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 160551656
tert-butyl N-[3-(4-bromo-2-cyanoanilino)propyl]carbamate
CID 82694802
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
tert-butyl N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]carbamate
CID 163335584
tert-butyl N-[3-[(6-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propyl]carbamate;1,3-difluoro-5-methylbenzene;ethane
CID 142904437
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
methyl 4-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]butanoate
CID 60782385
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate (CID 157284369) is tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCCC1CCOc2cc(Br)ccc21.
What is the InChIKey of tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate?
The InChIKey is HUAJVVIIWPGQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3/c1-17(2,3)22-16(20)19-9-4-5-12-8-10-21-15-11-13(18)6-7-14(12)15/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate?
tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate has a molecular weight of 370.29 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(7-bromo-3,4-dihydro-2H-chromen-4-yl)propyl]carbamate is sourced from PubChem (CID 157284369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).