N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide

C14H28N2O4 — CID 119749096

IUPACN-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide
SMILESCC(C)OCCOCC(O)CN(C)C(=O)C1CCNC1
InChIInChI=1S/C14H28N2O4/c1-11(2)20-7-6-19-10-13(17)9-16(3)14(18)12-4-5-15-8-12/h11-13,15,17H,4-10H2,1-3H3
InChIKeyPUFSIMFIKOWKAZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP-0.14
Rot. Bonds9

About N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide

N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 119749096) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID119749096
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide
SMILESCC(C)OCCOCC(O)CN(C)C(=O)C1CCNC1
InChIInChI=1S/C14H28N2O4/c1-11(2)20-7-6-19-10-13(17)9-16(3)14(18)12-4-5-15-8-12/h11-13,15,17H,4-10H2,1-3H3
InChIKeyPUFSIMFIKOWKAZ-UHFFFAOYSA-N
XLogP-0.14
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749079
(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide
CID 119303457
1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119303454
N-(2,2-dimethylpropyl)-N-methylpyrrolidine-3-carboxamide
CID 63005495
N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119687382
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
N-(3-hydroxybutyl)-N-methylpiperidine-3-carboxamide
CID 115734509
N-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 80710136
2-methyl-1-[(3S)-pyrrolidin-3-yl]butan-1-one
CID 126693531
(2R)-3-methyl-2-[methyl-[(3S)-pyrrolidine-3-carbonyl]amino]butanoic acid
CID 164886400
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide (CID 119749096) is N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide is CC(C)OCCOCC(O)CN(C)C(=O)C1CCNC1.
What is the InChIKey of N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is PUFSIMFIKOWKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)20-7-6-19-10-13(17)9-16(3)14(18)12-4-5-15-8-12/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide?
N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of -0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119749096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).