[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate

C17H26N2O2 — CID 175562349

IUPAC[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate
SMILESCCC(C)(C)c1ccc(NC2CCC(OC(N)=O)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-17(2,3)12-5-7-13(8-6-12)19-14-9-10-15(11-14)21-16(18)20/h5-8,14-15,19H,4,9-11H2,1-3H3,(H2,18,20)
InChIKeyYIWSYFXJTKEOJO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.80
Rot. Bonds5

About [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate

[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate (PubChem CID 175562349) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate.

Molecular Properties

Compound Name[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate
PubChem CID175562349
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate
SMILESCCC(C)(C)c1ccc(NC2CCC(OC(N)=O)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-4-17(2,3)12-5-7-13(8-6-12)19-14-9-10-15(11-14)21-16(18)20/h5-8,14-15,19H,4,9-11H2,1-3H3,(H2,18,20)
InChIKeyYIWSYFXJTKEOJO-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(2-methylbutan-2-yl)anilino]cyclohexyl] carbamate
CID 175562141
[3-(4-tert-butylanilino)cyclobutyl] carbamate
CID 175562231
[(1S,3S)-3-(tert-butylamino)cyclopentyl] carbamate
CID 177250020
2-[4-(cyclopropylamino)phenyl]-2-methylpropan-1-ol
CID 175501471
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate
CID 175562160
cis-ethyl (1S,3R)-3-[4-(N'-hydroxycarbamimidoyl)anilino]cyclopentane-1-carboxylate
CID 123817835
cis-ethyl (1S,3R)-3-[4-[(Z)-N'-hydroxycarbamimidoyl]anilino]cyclopentane-1-carboxylate
CID 58404401
2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
CID 4868535
4-(cyclopropylamino)benzamide
CID 103605968
[4-(cyclopropylamino)phenyl]urea
CID 103439135
2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide
CID 79461446

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate?
The IUPAC name of [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate (CID 175562349) is [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate.
What is the SMILES notation for [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate?
The canonical SMILES for [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate is CCC(C)(C)c1ccc(NC2CCC(OC(N)=O)C2)cc1.
What is the InChIKey of [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate?
The InChIKey is YIWSYFXJTKEOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(2,3)12-5-7-13(8-6-12)19-14-9-10-15(11-14)21-16(18)20/h5-8,14-15,19H,4,9-11H2,1-3H3,(H2,18,20).
What are the key properties of [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate?
[3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylbutan-2-yl)anilino]cyclopentyl] carbamate is sourced from PubChem (CID 175562349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).