N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C18H27ClN2O2 — CID 119306246

IUPACN-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(COC2CCCCC2)c1)C1CCCN1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(17-10-5-11-19-17)20-15-7-4-6-14(12-15)13-22-16-8-2-1-3-9-16;/h4,6-7,12,16-17,19H,1-3,5,8-11,13H2,(H,20,21);1H
InChIKeyROCVCXLMKXWXRD-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.65
Rot. Bonds5

About N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119306246) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119306246
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(COC2CCCCC2)c1)C1CCCN1
InChIInChI=1S/C18H26N2O2.ClH/c21-18(17-10-5-11-19-17)20-15-7-4-6-14(12-15)13-22-16-8-2-1-3-9-16;/h4,6-7,12,16-17,19H,1-3,5,8-11,13H2,(H,20,21);1H
InChIKeyROCVCXLMKXWXRD-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[3-(benzylsulfinylmethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119327157
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320762
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119306246) is N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(COC2CCCCC2)c1)C1CCCN1.
What is the InChIKey of N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ROCVCXLMKXWXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c21-18(17-10-5-11-19-17)20-15-7-4-6-14(12-15)13-22-16-8-2-1-3-9-16;/h4,6-7,12,16-17,19H,1-3,5,8-11,13H2,(H,20,21);1H.
What are the key properties of N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119306246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).