phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate

C18H24N2O3 — CID 3112487

IUPACphenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NC1CCCCC1)C1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17(19-14-8-3-1-4-9-14)16-12-7-13-20(16)18(22)23-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2,(H,19,21)
InChIKeyVUNGPIBABRURPY-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.10
Rot. Bonds3

About phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate

phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 3112487) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID3112487
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namephenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(NC1CCCCC1)C1CCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17(19-14-8-3-1-4-9-14)16-12-7-13-20(16)18(22)23-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2,(H,19,21)
InChIKeyVUNGPIBABRURPY-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 655757
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate (CID 3112487) is phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate is O=C(NC1CCCCC1)C1CCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is VUNGPIBABRURPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-14-8-3-1-4-9-14)16-12-7-13-20(16)18(22)23-15-10-5-2-6-11-15/h2,5-6,10-11,14,16H,1,3-4,7-9,12-13H2,(H,19,21).
What are the key properties of phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate?
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 3112487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).