4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C19H28N2O3 — CID 120943780

IUPAC4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c22-18-12-20-10-16(18)11-21-19(23)15-6-8-17(9-7-15)24-13-14-4-2-1-3-5-14/h6-9,14,16,18,20,22H,1-5,10-13H2,(H,21,23)
InChIKeyNQKAEICGQMGGPR-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.96
Rot. Bonds6

About 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120943780) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120943780
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c22-18-12-20-10-16(18)11-21-19(23)15-6-8-17(9-7-15)24-13-14-4-2-1-3-5-14/h6-9,14,16,18,20,22H,1-5,10-13H2,(H,21,23)
InChIKeyNQKAEICGQMGGPR-UHFFFAOYSA-N
XLogP1.96
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537467
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
4-(cyclohexylmethoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448595
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
[4-[[4-(cyclohexylmethoxy)phenyl]methylcarbamoyl]phenyl] dihydrogen phosphate
CID 10812007
N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
CID 119996180
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120943780) is 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is NQKAEICGQMGGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-18-12-20-10-16(18)11-21-19(23)15-6-8-17(9-7-15)24-13-14-4-2-1-3-5-14/h6-9,14,16,18,20,22H,1-5,10-13H2,(H,21,23).
What are the key properties of 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120943780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).