tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate

C16H22N2O3 — CID 24540087

IUPACtert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)17-13-8-6-7-12(11-13)14(19)18-9-4-5-10-18/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyODIKQLSNSAGPCJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.27
Rot. Bonds2

About tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate

tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate (PubChem CID 24540087) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
PubChem CID24540087
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)17-13-8-6-7-12(11-13)14(19)18-9-4-5-10-18/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,20)
InChIKeyODIKQLSNSAGPCJ-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]carbamate
CID 55532756
tert-butyl N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]carbamate
CID 60559054
tert-butyl N-[3-[4-(cyclopropylcarbamoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 55904279
tert-butyl N-[3-[4-(2-methylpropyl)piperazine-1-carbonyl]phenyl]carbamate
CID 134061268
tert-butyl N-[3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]carbamate
CID 60552319
tert-butyl N-[3-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]phenyl]carbamate
CID 55641535
tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
CID 24537551
tert-butyl N-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]carbamate
CID 9271219
tert-butyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 51123070
tert-butyl N-[3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]carbamate
CID 9272112
tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
CID 9272226
tert-butyl N-[3-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]carbamate
CID 56534026

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate (CID 24540087) is tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate?
The InChIKey is ODIKQLSNSAGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)17-13-8-6-7-12(11-13)14(19)18-9-4-5-10-18/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate?
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate is sourced from PubChem (CID 24540087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).