tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate

C22H32N2O5 — CID 75496139

IUPACtert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate
SMILESCOc1cc2c(cc1CNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)OC(C)C2
InChIInChI=1S/C22H32N2O5/c1-14-8-16-9-18(27-5)17(10-19(16)28-14)11-23-20(25)13-24(12-15-6-7-15)21(26)29-22(2,3)4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,23,25)
InChIKeySLRIXTHXAACXFZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.28
Rot. Bonds7

About tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate

tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate (PubChem CID 75496139) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate
PubChem CID75496139
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Nametert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate
SMILESCOc1cc2c(cc1CNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)OC(C)C2
InChIInChI=1S/C22H32N2O5/c1-14-8-16-9-18(27-5)17(10-19(16)28-14)11-23-20(25)13-24(12-15-6-7-15)21(26)29-22(2,3)4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,23,25)
InChIKeySLRIXTHXAACXFZ-UHFFFAOYSA-N
XLogP3.28
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119948541
(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
CID 120873345
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106186264
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]but-2-ynamide
CID 166405428
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
3-(furan-2-yl)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide
CID 97237836
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N-propylacetamide
CID 78910509
N-ethyl-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanamide
CID 78910537
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N,N-dimethylpropanamide
CID 78989547
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate (CID 75496139) is tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate is COc1cc2c(cc1CNC(=O)CN(CC1CC1)C(=O)OC(C)(C)C)OC(C)C2.
What is the InChIKey of tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate?
The InChIKey is SLRIXTHXAACXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-14-8-16-9-18(27-5)17(10-19(16)28-14)11-23-20(25)13-24(12-15-6-7-15)21(26)29-22(2,3)4/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,23,25).
What are the key properties of tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate?
tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate has a molecular weight of 404.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclopropylmethyl)-N-[2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 75496139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).