tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate

C20H32N2O3 — CID 113351520

IUPACtert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)Oc1ccc(CNC2CCCC2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-14(2)24-16-11-9-15(10-12-16)13-21-17-7-6-8-18(17)22-19(23)25-20(3,4)5/h9-12,14,17-18,21H,6-8,13H2,1-5H3,(H,22,23)
InChIKeyWECWJIFOYCYDKB-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.01
Rot. Bonds6

About tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate (PubChem CID 113351520) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate
PubChem CID113351520
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate
SMILESCC(C)Oc1ccc(CNC2CCCC2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H32N2O3/c1-14(2)24-16-11-9-15(10-12-16)13-21-17-7-6-8-18(17)22-19(23)25-20(3,4)5/h9-12,14,17-18,21H,6-8,13H2,1-5H3,(H,22,23)
InChIKeyWECWJIFOYCYDKB-UHFFFAOYSA-N
XLogP4.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]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

tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[(1R,2R)-2-[(2-hydroxy-5-methoxyphenyl)methylamino]cyclohexyl]carbamate
CID 90273225
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
CID 104844767
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate (CID 113351520) is tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate is CC(C)Oc1ccc(CNC2CCCC2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate?
The InChIKey is WECWJIFOYCYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(2)24-16-11-9-15(10-12-16)13-21-17-7-6-8-18(17)22-19(23)25-20(3,4)5/h9-12,14,17-18,21H,6-8,13H2,1-5H3,(H,22,23).
What are the key properties of tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate has a molecular weight of 348.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 113351520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).