4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide

C20H30N2O2 — CID 119537467

IUPAC4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O2/c23-20(22-13-11-16-10-12-21-14-16)18-6-8-19(9-7-18)24-15-17-4-2-1-3-5-17/h6-9,16-17,21H,1-5,10-15H2,(H,22,23)
InChIKeyRFYSWJVOSYBGKZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.38
Rot. Bonds7

About 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide

4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537467) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537467
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C20H30N2O2/c23-20(22-13-11-16-10-12-21-14-16)18-6-8-19(9-7-18)24-15-17-4-2-1-3-5-17/h6-9,16-17,21H,1-5,10-15H2,(H,22,23)
InChIKeyRFYSWJVOSYBGKZ-UHFFFAOYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238
4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536052
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
4-(cyclohexylmethoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448595
4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943780
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537467) is 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide is O=C(NCCC1CCNC1)c1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is RFYSWJVOSYBGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-20(22-13-11-16-10-12-21-14-16)18-6-8-19(9-7-18)24-15-17-4-2-1-3-5-17/h6-9,16-17,21H,1-5,10-15H2,(H,22,23).
What are the key properties of 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 330.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).