tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate

C20H29N3O3 — CID 57222911

IUPACtert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nccn1COCc1ccccc1
InChIInChI=1S/C20H29N3O3/c1-15(2)17(22-19(24)26-20(3,4)5)18-21-11-12-23(18)14-25-13-16-9-7-6-8-10-16/h6-12,15,17H,13-14H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyXQEREBVJCBHONN-KRWDZBQOSA-N
MW359.47 g/mol
LogP4.28
Rot. Bonds7

About tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate

tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate (PubChem CID 57222911) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate
PubChem CID57222911
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nametert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1nccn1COCc1ccccc1
InChIInChI=1S/C20H29N3O3/c1-15(2)17(22-19(24)26-20(3,4)5)18-21-11-12-23(18)14-25-13-16-9-7-6-8-10-16/h6-12,15,17H,13-14H2,1-5H3,(H,22,24)/t17-/m0/s1
InChIKeyXQEREBVJCBHONN-KRWDZBQOSA-N
XLogP4.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate with MolForge

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Related Compounds

[2-[(1S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-(phenylmethoxymethyl)-1,3-oxazol-5-yl]boronic acid
CID 132550637
tert-butyl N-[(2R)-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate
CID 165468645
benzyl (2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 91755272
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-3-methyl-1-(2-phenylmethoxyphenyl)butyl]carbamate
CID 132595949
tert-butyl N-[1-(1-benzyl-5-methylbenzimidazol-2-yl)-2-methylpropyl]carbamate
CID 66886965
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-methyl-5-phenylmethoxypentan-2-yl]carbamate
CID 10947274
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
dibenzyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102184281
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate (CID 57222911) is tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1nccn1COCc1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate?
The InChIKey is XQEREBVJCBHONN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)17(22-19(24)26-20(3,4)5)18-21-11-12-23(18)14-25-13-16-9-7-6-8-10-16/h6-12,15,17H,13-14H2,1-5H3,(H,22,24)/t17-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate?
tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate has a molecular weight of 359.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate is sourced from PubChem (CID 57222911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).