N-(1-chloropropan-2-yl)oxane-4-carboxamide

C9H16ClNO2 — CID 114299496

IUPACN-(1-chloropropan-2-yl)oxane-4-carboxamide
SMILESCC(CCl)NC(=O)C1CCOCC1
InChIInChI=1S/C9H16ClNO2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyLCHKUIQMOANKJX-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.16
Rot. Bonds3

About N-(1-chloropropan-2-yl)oxane-4-carboxamide

N-(1-chloropropan-2-yl)oxane-4-carboxamide (PubChem CID 114299496) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)oxane-4-carboxamide
PubChem CID114299496
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC NameN-(1-chloropropan-2-yl)oxane-4-carboxamide
SMILESCC(CCl)NC(=O)C1CCOCC1
InChIInChI=1S/C9H16ClNO2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyLCHKUIQMOANKJX-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.16
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-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658
N-(4-aminobutan-2-yl)oxane-4-carboxamide
CID 62905815
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
N-[(2R)-2-(ethylamino)propyl]oxane-4-carboxamide;hydrochloride
CID 120650436
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
N-[(3S)-hexan-3-yl]oxane-4-carboxamide
CID 170970278
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
[(2S)-4-methylpentan-2-yl] (2S)-2-(oxane-4-carbonylamino)propanoate
CID 95177987
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-(4-chlorobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 83180012

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)oxane-4-carboxamide (CID 114299496) is N-(1-chloropropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)oxane-4-carboxamide is CC(CCl)NC(=O)C1CCOCC1.
What is the InChIKey of N-(1-chloropropan-2-yl)oxane-4-carboxamide?
The InChIKey is LCHKUIQMOANKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(1-chloropropan-2-yl)oxane-4-carboxamide?
N-(1-chloropropan-2-yl)oxane-4-carboxamide has a molecular weight of 205.68 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 114299496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).