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

C12H24N2O2 — CID 114873917

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-10(2)7-11(15)14(3)9-12(16)5-6-13-8-12/h10,13,16H,4-9H2,1-3H3
InChIKeyUSSLZPDBKOQDGF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds5

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

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide (PubChem CID 114873917) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
PubChem CID114873917
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
SMILESCCC(C)CC(=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-10(2)7-11(15)14(3)9-12(16)5-6-13-8-12/h10,13,16H,4-9H2,1-3H3
InChIKeyUSSLZPDBKOQDGF-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide
CID 114246107
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide
CID 114761362
2-(4-fluorophenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760166
N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761300
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
2-(3,4-dimethylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylacetamide
CID 114760433
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
CID 46941652
3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761156
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 114760219
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 114948694
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
CID 114760455

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide (CID 114873917) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide is CCC(C)CC(=O)N(C)CC1(O)CCNC1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide?
The InChIKey is USSLZPDBKOQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(2)7-11(15)14(3)9-12(16)5-6-13-8-12/h10,13,16H,4-9H2,1-3H3.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 114873917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).