tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate

C23H31NO3 — CID 122389860

IUPACtert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
SMILESCc1ccc(CCC(COCc2ccccc2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-18-10-12-19(13-11-18)14-15-21(24-22(25)27-23(2,3)4)17-26-16-20-8-6-5-7-9-20/h5-13,21H,14-17H2,1-4H3,(H,24,25)
InChIKeyKHYARMAHEDAYPM-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.04
Rot. Bonds8

About tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate

tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate (PubChem CID 122389860) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
PubChem CID122389860
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Nametert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
SMILESCc1ccc(CCC(COCc2ccccc2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H31NO3/c1-18-10-12-19(13-11-18)14-15-21(24-22(25)27-23(2,3)4)17-26-16-20-8-6-5-7-9-20/h5-13,21H,14-17H2,1-4H3,(H,24,25)
InChIKeyKHYARMAHEDAYPM-UHFFFAOYSA-N
XLogP5.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102427058
tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
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tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
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tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
tert-butyl N-[(5S)-5-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-phenylmethoxyhexyl]carbamate
CID 126567982
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexoxy]acetate
CID 86647244
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
[(2R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropoxy]-3-phenylmethoxypropan-2-yl] methanesulfonate
CID 11466597
tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
CID 132916154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate (CID 122389860) is tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate is Cc1ccc(CCC(COCc2ccccc2)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate?
The InChIKey is KHYARMAHEDAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-18-10-12-19(13-11-18)14-15-21(24-22(25)27-23(2,3)4)17-26-16-20-8-6-5-7-9-20/h5-13,21H,14-17H2,1-4H3,(H,24,25).
What are the key properties of tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate?
tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate has a molecular weight of 369.51 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate is sourced from PubChem (CID 122389860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).