N-(4-chlorobutan-2-yl)oxane-4-carboxamide

C10H18ClNO2 — CID 83180658

IUPACN-(4-chlorobutan-2-yl)oxane-4-carboxamide
SMILESCC(CCCl)NC(=O)C1CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-8(2-5-11)12-10(13)9-3-6-14-7-4-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyDBDLWCWVPWSURZ-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.55
Rot. Bonds4

About N-(4-chlorobutan-2-yl)oxane-4-carboxamide

N-(4-chlorobutan-2-yl)oxane-4-carboxamide (PubChem CID 83180658) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)oxane-4-carboxamide
PubChem CID83180658
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(4-chlorobutan-2-yl)oxane-4-carboxamide
SMILESCC(CCCl)NC(=O)C1CCOCC1
InChIInChI=1S/C10H18ClNO2/c1-8(2-5-11)12-10(13)9-3-6-14-7-4-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyDBDLWCWVPWSURZ-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)oxane-4-carboxamide
CID 114299496
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-(4-chlorobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 83180012
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
N-[(2R)-2-(ethylamino)propyl]oxane-4-carboxamide;hydrochloride
CID 120650436
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutan-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(4-chlorobutan-2-yl)oxane-4-carboxamide (CID 83180658) is N-(4-chlorobutan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-chlorobutan-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(4-chlorobutan-2-yl)oxane-4-carboxamide is CC(CCCl)NC(=O)C1CCOCC1.
What is the InChIKey of N-(4-chlorobutan-2-yl)oxane-4-carboxamide?
The InChIKey is DBDLWCWVPWSURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8(2-5-11)12-10(13)9-3-6-14-7-4-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(4-chlorobutan-2-yl)oxane-4-carboxamide?
N-(4-chlorobutan-2-yl)oxane-4-carboxamide has a molecular weight of 219.71 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 83180658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).