N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide

C12H24N2O2 — CID 120945743

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)NCC1CNCC1O
InChIInChI=1S/C12H24N2O2/c1-4-12(2,3)5-11(16)14-7-9-6-13-8-10(9)15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyOBCIQFOCOFVOTJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide (PubChem CID 120945743) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide
PubChem CID120945743
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide
SMILESCCC(C)(C)CC(=O)NCC1CNCC1O
InChIInChI=1S/C12H24N2O2/c1-4-12(2,3)5-11(16)14-7-9-6-13-8-10(9)15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyOBCIQFOCOFVOTJ-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
CID 120944272
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944731
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 120945294
2-[2-(diethylamino)ethylsulfanyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120945911
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
CID 120946312
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 120947292
3-cyclopentyl-N-[2-[(4-hydroxypyrrolidin-3-yl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 120945798

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide (CID 120945743) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide is CCC(C)(C)CC(=O)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide?
The InChIKey is OBCIQFOCOFVOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(2,3)5-11(16)14-7-9-6-13-8-10(9)15/h9-10,13,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,3-dimethylpentanamide is sourced from PubChem (CID 120945743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).