tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate

C18H27N3O2 — CID 58393204

IUPACtert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate
SMILESCN(CCc1ccc(C2=NCCN2C)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21(5)12-10-14-6-8-15(9-7-14)16-19-11-13-20(16)4/h6-9H,10-13H2,1-5H3
InChIKeyNGSHFOAWJDYOIW-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate

tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate (PubChem CID 58393204) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate
PubChem CID58393204
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate
SMILESCN(CCc1ccc(C2=NCCN2C)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21(5)12-10-14-6-8-15(9-7-14)16-19-11-13-20(16)4/h6-9H,10-13H2,1-5H3
InChIKeyNGSHFOAWJDYOIW-UHFFFAOYSA-N
XLogP2.79
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamic acid
CID 67217571
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
tert-butyl 2-[4-[2-[3-[benzyl(methyl)amino]propanoyl-methylamino]ethyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
CID 58638744
4-[(2,3-dichlorophenyl)sulfonyl-methylamino]-N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]butanamide
CID 11642197
tert-butyl N-[2-(4-isocyanatophenyl)ethyl]-N-methylcarbamate
CID 58108870
[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]boronic acid
CID 58343957
tert-butyl N-methyl-N-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]carbamate
CID 11718487
tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
CID 67952576
2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrimidine-5-carboxylic acid
CID 165463164
tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
CID 122492608
tert-butyl N-[3-[4-(2-hydroxyethyl)-N-methylanilino]propyl]-N-methylcarbamate
CID 164520133
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate (CID 58393204) is tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate is CN(CCc1ccc(C2=NCCN2C)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate?
The InChIKey is NGSHFOAWJDYOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21(5)12-10-14-6-8-15(9-7-14)16-19-11-13-20(16)4/h6-9H,10-13H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate has a molecular weight of 317.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]carbamate is sourced from PubChem (CID 58393204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).