N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide

C14H26N2O2 — CID 79209328

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NCC1(O)CCCCC1
InChIInChI=1S/C14H26N2O2/c17-13(6-11-16-9-4-5-10-16)15-12-14(18)7-2-1-3-8-14/h18H,1-12H2,(H,15,17)
InChIKeyVCWLHBOSLQFQGK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.28
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide

N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 79209328) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID79209328
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)NCC1(O)CCCCC1
InChIInChI=1S/C14H26N2O2/c17-13(6-11-16-9-4-5-10-16)15-12-14(18)7-2-1-3-8-14/h18H,1-12H2,(H,15,17)
InChIKeyVCWLHBOSLQFQGK-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79210284
N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide
CID 106741500
2-[3-(azepan-1-yl)propanoylamino]acetic acid
CID 52983762
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547
N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
CID 122170238
3-(azepan-1-yl)-N-prop-2-enylpropanamide
CID 109011875
N'-[(1-hydroxycycloheptyl)methyl]-N-prop-2-ynylpropanediamide
CID 110017495
N-[(1-hydroxycyclopentyl)methyl]-2-morpholin-4-ylacetamide
CID 110011664
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 111428641

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide (CID 79209328) is N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is VCWLHBOSLQFQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-13(6-11-16-9-4-5-10-16)15-12-14(18)7-2-1-3-8-14/h18H,1-12H2,(H,15,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide?
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 79209328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).