N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide

C11H21NO2 — CID 143646587

IUPACN-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide
SMILESCCC(=O)NCCCCC1(CO)CC1
InChIInChI=1S/C11H21NO2/c1-2-10(14)12-8-4-3-5-11(9-13)6-7-11/h13H,2-9H2,1H3,(H,12,14)
InChIKeyYPLLVRCYNGDVOP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds7

About N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide

N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide (PubChem CID 143646587) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide
PubChem CID143646587
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide
SMILESCCC(=O)NCCCCC1(CO)CC1
InChIInChI=1S/C11H21NO2/c1-2-10(14)12-8-4-3-5-11(9-13)6-7-11/h13H,2-9H2,1H3,(H,12,14)
InChIKeyYPLLVRCYNGDVOP-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropyl-3-hydroxypropyl)pivalamide
CID 71787427
N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
CID 71917016
2-fluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 109928293
N-[(S)-3-cyclopropyl-3-hydroxypropyl]2,2-dimethylpropionamide
CID 96349815
N-heptyl-3,3-dimethyl-5-hydroxypentanamide
CID 19021731
N-(6-hydroxy-4,4-dimethylhexyl)docosanamide
CID 20707288
N-(5-hydroxy-4,4-dimethylpentyl)propanamide
CID 23563450
N-[6-Hydroxy-5-(hydroxymethyl)hexyl]acetamide
CID 45119240
N-(6-hydroxyhexyl)-2-methylbutanamide
CID 53697313
N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 68152700
N-hexadecyl-1-(16-hydroxyhexadecyl)cyclopropane-1-carboxamide
CID 69446243
1-(16-hydroxyhexadecyl)-N-octadecylcyclopropane-1-carboxamide
CID 69446576

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide?
The IUPAC name of N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide (CID 143646587) is N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide.
What is the SMILES notation for N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide?
The canonical SMILES for N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide is CCC(=O)NCCCCC1(CO)CC1.
What is the InChIKey of N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide?
The InChIKey is YPLLVRCYNGDVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-10(14)12-8-4-3-5-11(9-13)6-7-11/h13H,2-9H2,1H3,(H,12,14).
What are the key properties of N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide?
N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide has a molecular weight of 199.29 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(hydroxymethyl)cyclopropyl]butyl]propanamide is sourced from PubChem (CID 143646587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).