tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate

C19H30N2O2 — CID 107239998

IUPACtert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
SMILESCC1CC(C)(C)CC1Nc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-13-11-19(5,6)12-16(13)20-14-8-7-9-15(10-14)21-17(22)23-18(2,3)4/h7-10,13,16,20H,11-12H2,1-6H3,(H,21,22)
InChIKeySBYFZKWFENKIOM-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.27
Rot. Bonds3

About tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate

tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate (PubChem CID 107239998) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
PubChem CID107239998
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
SMILESCC1CC(C)(C)CC1Nc1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H30N2O2/c1-13-11-19(5,6)12-16(13)20-14-8-7-9-15(10-14)21-17(22)23-18(2,3)4/h7-10,13,16,20H,11-12H2,1-6H3,(H,21,22)
InChIKeySBYFZKWFENKIOM-UHFFFAOYSA-N
XLogP5.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
CID 68959408
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
3-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 106661595
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239965
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
CID 106662193

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate (CID 107239998) is tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate is CC1CC(C)(C)CC1Nc1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate?
The InChIKey is SBYFZKWFENKIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-11-19(5,6)12-16(13)20-14-8-7-9-15(10-14)21-17(22)23-18(2,3)4/h7-10,13,16,20H,11-12H2,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate?
tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate is sourced from PubChem (CID 107239998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).