tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate

C19H30N2O2 — CID 107253394

IUPACtert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
SMILESCC(NCC1CCCC1)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(20-13-15-7-5-6-8-15)16-9-11-17(12-10-16)21-18(22)23-19(2,3)4/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,21,22)
InChIKeyAXXSQRBDVSOWAE-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.87
Rot. Bonds5

About tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate

tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate (PubChem CID 107253394) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
PubChem CID107253394
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
SMILESCC(NCC1CCCC1)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O2/c1-14(20-13-15-7-5-6-8-15)16-9-11-17(12-10-16)21-18(22)23-19(2,3)4/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,21,22)
InChIKeyAXXSQRBDVSOWAE-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415
tert-butyl N-[4-[1-(4-methylpentan-2-ylamino)ethyl]phenyl]carbamate
CID 107253386
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate (CID 107253394) is tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate is CC(NCC1CCCC1)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate?
The InChIKey is AXXSQRBDVSOWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(20-13-15-7-5-6-8-15)16-9-11-17(12-10-16)21-18(22)23-19(2,3)4/h9-12,14-15,20H,5-8,13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate?
tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate is sourced from PubChem (CID 107253394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).