tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate

C20H25NO4 — CID 10472618

IUPACtert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
SMILESCOc1ccc(OC)c(N(Cc2ccccc2)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21(14-15-9-7-6-8-10-15)17-13-16(23-4)11-12-18(17)24-5/h6-13H,14H2,1-5H3
InChIKeyOLEIPXSWNSMSBP-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.65
Rot. Bonds5

About tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate

tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate (PubChem CID 10472618) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
PubChem CID10472618
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
SMILESCOc1ccc(OC)c(N(Cc2ccccc2)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21(14-15-9-7-6-8-10-15)17-13-16(23-4)11-12-18(17)24-5/h6-13H,14H2,1-5H3
InChIKeyOLEIPXSWNSMSBP-UHFFFAOYSA-N
XLogP4.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate
CID 58259284
4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(sulfinooxymethyl)amino]benzoic acid
CID 174860351
N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
CID 109040385
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
tert-butyl N-[2-[benzyl(methyl)amino]ethyl]-N-(4-cyano-3-methoxyphenyl)carbamate
CID 23068152
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
tert-butyl N-[4-(bromomethyl)-6-methyl-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 135169140
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
2-amino-N-benzyl-N-(2-methoxyphenyl)acetamide
CID 39369464
2-[benzyl-[2-(2,5-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-N-tert-butylbutanamide
CID 132730885
tert-butyl N-[3-bromo-4-chloro-5-[methoxycarbonyl-[(4-methoxyphenyl)methyl]amino]phenyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 86708464
methyl 2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methylpyridine-4-carboxylate
CID 135153900

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate (CID 10472618) is tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate is COc1ccc(OC)c(N(Cc2ccccc2)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate?
The InChIKey is OLEIPXSWNSMSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-20(2,3)25-19(22)21(14-15-9-7-6-8-10-15)17-13-16(23-4)11-12-18(17)24-5/h6-13H,14H2,1-5H3.
What are the key properties of tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate?
tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate has a molecular weight of 343.42 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate is sourced from PubChem (CID 10472618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).