tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate

C19H22N2O3 — CID 141438103

IUPACtert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)21-12-13-6-4-7-14(10-13)15-8-5-9-16(11-15)17(20)22/h4-11H,12H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyLRQRTGUJWIJREO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds4

About tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate

tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate (PubChem CID 141438103) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
PubChem CID141438103
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nametert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)21-12-13-6-4-7-14(10-13)15-8-5-9-16(11-15)17(20)22/h4-11H,12H2,1-3H3,(H2,20,22)(H,21,23)
InChIKeyLRQRTGUJWIJREO-UHFFFAOYSA-N
XLogP3.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
CID 170714712
tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
tert-butyl N-[1-[(3-carbamoylphenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103740263
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]benzoic acid
CID 146187594
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[3-[[[N-[(3-carbamoylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]pentan-3-yl]carbamate
CID 109451693
tert-butyl 2-[(3-carbamoylphenyl)methylamino]acetate
CID 81463312
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl N-methylcarbamate
CID 23548893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate (CID 141438103) is tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(-c2cccc(C(N)=O)c2)c1.
What is the InChIKey of tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate?
The InChIKey is LRQRTGUJWIJREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,3)24-18(23)21-12-13-6-4-7-14(10-13)15-8-5-9-16(11-15)17(20)22/h4-11H,12H2,1-3H3,(H2,20,22)(H,21,23).
What are the key properties of tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate?
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate is sourced from PubChem (CID 141438103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).