tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate

C19H28N2O3 — CID 113242267

IUPACtert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NC1COc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(22)20-11-13-7-6-9-15(13)21-16-12-23-17-10-5-4-8-14(16)17/h4-5,8,10,13,15-16,21H,6-7,9,11-12H2,1-3H3,(H,20,22)
InChIKeyBGDPVNVLSUJKCR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.40
Rot. Bonds4

About tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate (PubChem CID 113242267) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate
PubChem CID113242267
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NC1COc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(22)20-11-13-7-6-9-15(13)21-16-12-23-17-10-5-4-8-14(16)17/h4-5,8,10,13,15-16,21H,6-7,9,11-12H2,1-3H3,(H,20,22)
InChIKeyBGDPVNVLSUJKCR-UHFFFAOYSA-N
XLogP3.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]carbamate
CID 115615306
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-(2-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695647
tert-butyl N-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 106253113
tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
CID 103695578
tert-butyl N-[[2-(2-fluoroanilino)cyclohexyl]methyl]carbamate
CID 103695367
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[[2-(2,6-dibromoanilino)cyclopentyl]methyl]carbamate
CID 107597176
tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 99782010
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
tert-butyl N-[[2-(4-iodoanilino)cyclopentyl]methyl]carbamate
CID 103695645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate (CID 113242267) is tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NC1COc2ccccc21.
What is the InChIKey of tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate?
The InChIKey is BGDPVNVLSUJKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)24-18(22)20-11-13-7-6-9-15(13)21-16-12-23-17-10-5-4-8-14(16)17/h4-5,8,10,13,15-16,21H,6-7,9,11-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 113242267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).