tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate

C21H25NO6 — CID 19894106

IUPACtert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
SMILESCOc1cc(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C21H25NO6/c1-21(2,3)28-20(24)22-15-9-7-8-13(10-15)18(23)14-11-16(25-4)19(27-6)17(12-14)26-5/h7-12H,1-6H3,(H,22,24)
InChIKeyMQPDREZASYRELV-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate

tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate (PubChem CID 19894106) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
PubChem CID19894106
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Nametert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
SMILESCOc1cc(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C21H25NO6/c1-21(2,3)28-20(24)22-15-9-7-8-13(10-15)18(23)14-11-16(25-4)19(27-6)17(12-14)26-5/h7-12H,1-6H3,(H,22,24)
InChIKeyMQPDREZASYRELV-UHFFFAOYSA-N
XLogP4.29
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19876877
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate
CID 117415391
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate (CID 19894106) is tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate is COc1cc(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc(OC)c1OC.
What is the InChIKey of tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate?
The InChIKey is MQPDREZASYRELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-21(2,3)28-20(24)22-15-9-7-8-13(10-15)18(23)14-11-16(25-4)19(27-6)17(12-14)26-5/h7-12H,1-6H3,(H,22,24).
What are the key properties of tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate?
tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate has a molecular weight of 387.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamate is sourced from PubChem (CID 19894106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).