benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate

C20H24N2O4 — CID 68540844

IUPACbenzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-17-11-9-15(10-12-17)13-21-18(23)25-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAMMKFVUYUSWJKZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.46
Rot. Bonds5

About benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate

benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate (PubChem CID 68540844) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
PubChem CID68540844
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namebenzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-17-11-9-15(10-12-17)13-21-18(23)25-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyAMMKFVUYUSWJKZ-UHFFFAOYSA-N
XLogP4.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
benzyl N-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]ethyl]carbamate
CID 156874082
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-[2-[2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170563874
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl] 2-(phenylmethoxycarbonylamino)propanoate
CID 70090876
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
benzyl N-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515500
benzyl N-[[2-fluoro-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 58686438
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl N-[4-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]phenyl]carbamate
CID 78847906

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate (CID 68540844) is benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate?
The InChIKey is AMMKFVUYUSWJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-17-11-9-15(10-12-17)13-21-18(23)25-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate?
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 68540844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).