N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide

C11H21NO3 — CID 107299926

IUPACN-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide
SMILESCC(O)CCCNC(=O)C1(C)CCCO1
InChIInChI=1S/C11H21NO3/c1-9(13)5-3-7-12-10(14)11(2)6-4-8-15-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeySYIVOTSESIRBFQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds5

About N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide

N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide (PubChem CID 107299926) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide
PubChem CID107299926
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide
SMILESCC(O)CCCNC(=O)C1(C)CCCO1
InChIInChI=1S/C11H21NO3/c1-9(13)5-3-7-12-10(14)11(2)6-4-8-15-11/h9,13H,3-8H2,1-2H3,(H,12,14)
InChIKeySYIVOTSESIRBFQ-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-2-methyloxolane-2-carboxamide
CID 107847632
N-(4-hydroxypentyl)-2-methylthiolane-2-carboxamide
CID 107300160
N-(1-chloropropan-2-yl)-2-methyloxolane-2-carboxamide
CID 114299647
N-(2-bromoprop-2-enyl)-2-methyloxolane-2-carboxamide
CID 115686684
2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide
CID 115686783
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyloxolane-2-carboxamide
CID 103782192
(2S)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429268
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
CID 126432610
1-[3-[[(2R)-2-methyloxane-2-carbonyl]amino]propyl]piperidine-4-carboxamide
CID 125437379
2-methyl-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]oxolane-2-carboxamide
CID 119068809
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686817

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide (CID 107299926) is N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide is CC(O)CCCNC(=O)C1(C)CCCO1.
What is the InChIKey of N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide?
The InChIKey is SYIVOTSESIRBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(13)5-3-7-12-10(14)11(2)6-4-8-15-11/h9,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide?
N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 107299926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).