3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide

C14H26N2O2 — CID 114760734

IUPAC3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCC1(O)CCNC1
InChIInChI=1S/C14H26N2O2/c17-13(7-6-12-4-2-1-3-5-12)16-11-14(18)8-9-15-10-14/h12,15,18H,1-11H2,(H,16,17)
InChIKeyYSWCRLIZZOMEPN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.19
Rot. Bonds5

About 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide

3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 114760734) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID114760734
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCC1(O)CCNC1
InChIInChI=1S/C14H26N2O2/c17-13(7-6-12-4-2-1-3-5-12)16-11-14(18)8-9-15-10-14/h12,15,18H,1-11H2,(H,16,17)
InChIKeyYSWCRLIZZOMEPN-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]cyclohexanecarboxamide
CID 49717945
4-ethyl-N-(3-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 100644710
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 114760178
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760252
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760302
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760359
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 114760533
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760629
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760703
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760750
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 120943160
2-(2-Aminocyclohexyl)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 121647515

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 114760734) is 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide is O=C(CCC1CCCCC1)NCC1(O)CCNC1.
What is the InChIKey of 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is YSWCRLIZZOMEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-13(7-6-12-4-2-1-3-5-12)16-11-14(18)8-9-15-10-14/h12,15,18H,1-11H2,(H,16,17).
What are the key properties of 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide?
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 254.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 114760734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).