tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate

C34H43BrN2O5 — CID 69400908

IUPACtert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC1c1ccc(-c2ccco2)cc1.CC(C)(C)OC(=O)NCC1CC1c1ccc(Br)cc1
InChIInChI=1S/C19H23NO3.C15H20BrNO2/c1-19(2,3)23-18(21)20-12-15-11-16(15)13-6-8-14(9-7-13)17-5-4-10-22-17;1-15(2,3)19-14(18)17-9-11-8-13(11)10-4-6-12(16)7-5-10/h4-10,15-16H,11-12H2,1-3H3,(H,20,21);4-7,11,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyDYJDTPCLPXJNEA-UHFFFAOYSA-N
MW639.63 g/mol
LogP8.65
Rot. Bonds7

About tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate

tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate (PubChem CID 69400908) has the molecular formula C34H43BrN2O5 and a molecular weight of 639.63 g/mol. Its IUPAC name is tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate
PubChem CID69400908
Molecular FormulaC34H43BrN2O5
Molecular Weight639.63 g/mol
Exact Mass638.24
IUPAC Nametert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CC1c1ccc(-c2ccco2)cc1.CC(C)(C)OC(=O)NCC1CC1c1ccc(Br)cc1
InChIInChI=1S/C19H23NO3.C15H20BrNO2/c1-19(2,3)23-18(21)20-12-15-11-16(15)13-6-8-14(9-7-13)17-5-4-10-22-17;1-15(2,3)19-14(18)17-9-11-8-13(11)10-4-6-12(16)7-5-10/h4-10,15-16H,11-12H2,1-3H3,(H,20,21);4-7,11,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyDYJDTPCLPXJNEA-UHFFFAOYSA-N
XLogP8.65
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.63
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-(3-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 69401399
tert-butyl N-[[2-(2-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 69412013
tert-butyl N-[[2-[2-(4-fluorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68925073
tert-butyl N-[[2-[3-(3-chlorophenyl)phenyl]cyclopropyl]methyl]carbamate
CID 68923896
tert-butyl N-[[(1S)-2-[5-bromo-2-(cyclopropylmethoxy)phenyl]cyclopropyl]methyl]carbamate
CID 144599522
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97066559
tert-butyl N-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]carbamate
CID 169336984
1-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558328
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate (CID 69400908) is tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CC1c1ccc(-c2ccco2)cc1.CC(C)(C)OC(=O)NCC1CC1c1ccc(Br)cc1.
What is the InChIKey of tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate?
The InChIKey is DYJDTPCLPXJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3.C15H20BrNO2/c1-19(2,3)23-18(21)20-12-15-11-16(15)13-6-8-14(9-7-13)17-5-4-10-22-17;1-15(2,3)19-14(18)17-9-11-8-13(11)10-4-6-12(16)7-5-10/h4-10,15-16H,11-12H2,1-3H3,(H,20,21);4-7,11,13H,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate has a molecular weight of 639.63 g/mol, XLogP of 8.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(4-bromophenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[4-(furan-2-yl)phenyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 69400908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).