tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate

C25H30N2O5 — CID 60558098

IUPACtert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)c1c(C)oc2ccc(OC)cc12)C(=O)OC(C)(C)C
InChIInChI=1S/C25H30N2O5/c1-7-27(24(29)32-25(3,4)5)15-17-10-8-9-11-20(17)26-23(28)22-16(2)31-21-13-12-18(30-6)14-19(21)22/h8-14H,7,15H2,1-6H3,(H,26,28)
InChIKeyCXJQJJKLJGFJAM-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.76
Rot. Bonds6

About tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate

tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate (PubChem CID 60558098) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate
PubChem CID60558098
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nametert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate
SMILESCCN(Cc1ccccc1NC(=O)c1c(C)oc2ccc(OC)cc12)C(=O)OC(C)(C)C
InChIInChI=1S/C25H30N2O5/c1-7-27(24(29)32-25(3,4)5)15-17-10-8-9-11-20(17)26-23(28)22-16(2)31-21-13-12-18(30-6)14-19(21)22/h8-14H,7,15H2,1-6H3,(H,26,28)
InChIKeyCXJQJJKLJGFJAM-UHFFFAOYSA-N
XLogP5.76
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-ethyl-N-[[2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]phenyl]methyl]carbamate
CID 55700415
tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate
CID 60557768
N-(2-bromophenyl)-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065520
tert-butyl N-ethyl-N-[[2-[3-(3-methoxyphenyl)propanoylamino]phenyl]methyl]carbamate
CID 60557825
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 55700706
tert-butyl N-ethyl-N-[[2-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]carbamate
CID 55700705
5-methoxy-2-methyl-N-(3-methylphenyl)-1-benzofuran-3-carboxamide
CID 51065526
tert-butyl N-[[2-[(5-bromothiophene-3-carbonyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 60557887
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 51065486
tert-butyl N-ethyl-N-[[2-[[2-(3-fluorophenyl)acetyl]amino]phenyl]methyl]carbamate
CID 55700391
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate (CID 60558098) is tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate is CCN(Cc1ccccc1NC(=O)c1c(C)oc2ccc(OC)cc12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate?
The InChIKey is CXJQJJKLJGFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-7-27(24(29)32-25(3,4)5)15-17-10-8-9-11-20(17)26-23(28)22-16(2)31-21-13-12-18(30-6)14-19(21)22/h8-14H,7,15H2,1-6H3,(H,26,28).
What are the key properties of tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate?
tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate has a molecular weight of 438.52 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 60558098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).