tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate

C17H26N2O2 — CID 79461940

IUPACtert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
SMILESCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-13(10-12)18-14-8-9-15(11-14)19-16(20)21-17(2,3)4/h5-7,10,14-15,18H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyKDCAVQRDXSANKR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.85
Rot. Bonds3

About tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate

tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate (PubChem CID 79461940) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
PubChem CID79461940
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
SMILESCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-7-13(10-12)18-14-8-9-15(11-14)19-16(20)21-17(2,3)4/h5-7,10,14-15,18H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyKDCAVQRDXSANKR-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
CID 103715349
tert-butyl N-[(1R)-3-(2-bromo-4-methylanilino)cyclopentyl]carbamate
CID 129193732
tert-butyl N-[3-(3-bromo-2-methylanilino)cyclopentyl]carbamate
CID 107629946
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
tert-butyl N-[3-(3-chloro-4-methylanilino)cyclohexyl]carbamate
CID 103719979
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
tert-butyl N-[3-(2-fluoro-4-methylanilino)cyclohexyl]carbamate
CID 103720068
tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
CID 113247856
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
CID 113256335

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate (CID 79461940) is tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate is Cc1cccc(NC2CCC(NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate?
The InChIKey is KDCAVQRDXSANKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-5-7-13(10-12)18-14-8-9-15(11-14)19-16(20)21-17(2,3)4/h5-7,10,14-15,18H,8-9,11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate?
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.85, 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-(3-methylanilino)cyclopentyl]carbamate is sourced from PubChem (CID 79461940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).