tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate

C15H27N3O3 — CID 114707455

IUPACtert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate
SMILESCCOC(C)Cn1cncc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-7-20-11(2)9-18-10-16-8-13(18)12(3)17-14(19)21-15(4,5)6/h8,10-12H,7,9H2,1-6H3,(H,17,19)
InChIKeyNNLVEJROXDQDKF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.89
Rot. Bonds6

About tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 114707455) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate
PubChem CID114707455
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate
SMILESCCOC(C)Cn1cncc1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-7-20-11(2)9-18-10-16-8-13(18)12(3)17-14(19)21-15(4,5)6/h8,10-12H,7,9H2,1-6H3,(H,17,19)
InChIKeyNNLVEJROXDQDKF-UHFFFAOYSA-N
XLogP2.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate
CID 104943808
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
tert-butyl N-[(1S)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114986323
tert-butyl N-[1-(3-prop-2-ynylimidazol-4-yl)ethyl]carbamate
CID 114704246
tert-butyl N-[(1R)-1-(3-butylimidazol-4-yl)ethyl]carbamate
CID 114986110
tert-butyl N-[(1R)-1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986245
tert-butyl N-[1-[3-(2-methylsulfinylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114707567
tert-butyl N-[(1R)-1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114986113
tert-butyl N-[1-[3-(3-methylbutyl)imidazol-4-yl]ethyl]carbamate
CID 114702803
tert-butyl N-[(1R)-1-[3-(2-cyclopropylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114986351
methyl 3-[5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 114986247
tert-butyl N-[(1S)-1-[3-[2-[ethyl(methyl)amino]ethyl]imidazol-4-yl]ethyl]carbamate
CID 114986278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate (CID 114707455) is tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate is CCOC(C)Cn1cncc1C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is NNLVEJROXDQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-7-20-11(2)9-18-10-16-8-13(18)12(3)17-14(19)21-15(4,5)6/h8,10-12H,7,9H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(2-ethoxypropyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 114707455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).