tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate

C19H30N2O2 — CID 103748481

IUPACtert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
SMILESCC1CCCC1NCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14-9-8-12-16(14)20-13-17(15-10-6-5-7-11-15)21-18(22)23-19(2,3)4/h5-7,10-11,14,16-17,20H,8-9,12-13H2,1-4H3,(H,21,22)
InChIKeyGPEMIKUVPBTZQQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.03
Rot. Bonds5

About tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate

tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate (PubChem CID 103748481) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
PubChem CID103748481
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
SMILESCC1CCCC1NCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14-9-8-12-16(14)20-13-17(15-10-6-5-7-11-15)21-18(22)23-19(2,3)4/h5-7,10-11,14,16-17,20H,8-9,12-13H2,1-4H3,(H,21,22)
InChIKeyGPEMIKUVPBTZQQ-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate (CID 103748481) is tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate is CC1CCCC1NCC(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate?
The InChIKey is GPEMIKUVPBTZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-9-8-12-16(14)20-13-17(15-10-6-5-7-11-15)21-18(22)23-19(2,3)4/h5-7,10-11,14,16-17,20H,8-9,12-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate?
tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate is sourced from PubChem (CID 103748481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).