propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate

C20H24N2O3 — CID 124843929

IUPACpropan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1ccc(NC[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)24-20(23)22-12-15-7-9-17(10-8-15)21-13-18-11-16-5-3-4-6-19(16)25-18/h3-10,14,18,21H,11-13H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyFKOSELRBYIBRAD-GOSISDBHSA-N
MW340.42 g/mol
LogP3.74
Rot. Bonds6

About propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate

propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate (PubChem CID 124843929) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate
PubChem CID124843929
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namepropan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1ccc(NC[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)24-20(23)22-12-15-7-9-17(10-8-15)21-13-18-11-16-5-3-4-6-19(16)25-18/h3-10,14,18,21H,11-13H2,1-2H3,(H,22,23)/t18-/m1/s1
InChIKeyFKOSELRBYIBRAD-GOSISDBHSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate with MolForge

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
4-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365408
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 51116943
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111233084
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[4-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111950258
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80739401

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate?
The IUPAC name of propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate (CID 124843929) is propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate?
The canonical SMILES for propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate is CC(C)OC(=O)NCc1ccc(NC[C@H]2Cc3ccccc3O2)cc1.
What is the InChIKey of propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate?
The InChIKey is FKOSELRBYIBRAD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)24-20(23)22-12-15-7-9-17(10-8-15)21-13-18-11-16-5-3-4-6-19(16)25-18/h3-10,14,18,21H,11-13H2,1-2H3,(H,22,23)/t18-/m1/s1.
What are the key properties of propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate?
propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 124843929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).