tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate

C17H24N4O2 — CID 103756740

IUPACtert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
SMILESCCn1ccnc1CNc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N4O2/c1-5-21-11-10-18-15(21)12-19-13-6-8-14(9-7-13)20-16(22)23-17(2,3)4/h6-11,19H,5,12H2,1-4H3,(H,20,22)
InChIKeyILIVGVCSHKXGQA-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.86
Rot. Bonds5

About tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate

tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate (PubChem CID 103756740) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
PubChem CID103756740
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Nametert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
SMILESCCn1ccnc1CNc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24N4O2/c1-5-21-11-10-18-15(21)12-19-13-6-8-14(9-7-13)20-16(22)23-17(2,3)4/h6-11,19H,5,12H2,1-4H3,(H,20,22)
InChIKeyILIVGVCSHKXGQA-UHFFFAOYSA-N
XLogP3.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
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5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
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tert-butyl N-[2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]phenyl]carbamate
CID 107240649
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
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N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
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tert-butyl N-[2-[(1-ethylimidazol-2-yl)methylamino]ethyl]-N-propylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate (CID 103756740) is tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate is CCn1ccnc1CNc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate?
The InChIKey is ILIVGVCSHKXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-21-11-10-18-15(21)12-19-13-6-8-14(9-7-13)20-16(22)23-17(2,3)4/h6-11,19H,5,12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate?
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 103756740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).