(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide

C15H22N2O2 — CID 93360502

IUPAC(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C15H22N2O2/c1-11(2)10-19-14-8-4-3-6-12(14)17-15(18)13-7-5-9-16-13/h3-4,6,8,11,13,16H,5,7,9-10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyCOBBGIKVRBLPKB-CYBMUJFWSA-N
MW262.35 g/mol
LogP2.41
Rot. Bonds5

About (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide

(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 93360502) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID93360502
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C15H22N2O2/c1-11(2)10-19-14-8-4-3-6-12(14)17-15(18)13-7-5-9-16-13/h3-4,6,8,11,13,16H,5,7,9-10H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyCOBBGIKVRBLPKB-CYBMUJFWSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
(2R)-N-[2-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 104901084
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 60928509
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
N-(2-phenoxyphenyl)piperidine-2-carboxamide
CID 18071902
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
N-[2-(butan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18072900

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide (CID 93360502) is (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide is CC(C)COc1ccccc1NC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is COBBGIKVRBLPKB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)10-19-14-8-4-3-6-12(14)17-15(18)13-7-5-9-16-13/h3-4,6,8,11,13,16H,5,7,9-10H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 93360502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).