3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide

C11H20ClNO2 — CID 20614522

IUPAC3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(C)CC(C)(Cl)C1
InChIInChI=1S/C11H20ClNO2/c1-8(5-15-4)13-9(14)10(2)6-11(3,12)7-10/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyWQEWEXSLROSDFZ-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.94
Rot. Bonds4

About 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide

3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide (PubChem CID 20614522) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide
PubChem CID20614522
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(C)CC(C)(Cl)C1
InChIInChI=1S/C11H20ClNO2/c1-8(5-15-4)13-9(14)10(2)6-11(3,12)7-10/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyWQEWEXSLROSDFZ-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.94
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

3-chloro-1,3-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 20614523
N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
CID 20614530
N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
CID 20614531
N-(2-methoxyethyl)-1-methylcyclobutane-1-carboxamide
CID 20784561
2,2-dichloro-1-ethyl-N-(1-methoxypropan-2-yl)-3-methylcyclopropane-1-carboxamide
CID 58741320
2,2-dichloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclopropane-1-carboxamide
CID 59109320
N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 59170007
N-[(2R,3S)-3-methoxybutan-2-yl]-1,3,3-trimethylcyclobutane-1-carboxamide
CID 60062722
N-(2-methoxyethyl)-2,2-dimethylpentanamide
CID 123296868
N-(2-methoxyethyl)-2,2,4,4-tetramethylpentanamide
CID 130272176
N-[(2R)-butan-2-yl]-3-chlorobicyclo[1.1.1]pentane-1-carboxamide
CID 167134974
N-butan-2-yl-3-chlorobicyclo[1.1.1]pentane-1-carboxamide
CID 167136533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide (CID 20614522) is 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide is COCC(C)NC(=O)C1(C)CC(C)(Cl)C1.
What is the InChIKey of 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is WQEWEXSLROSDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8(5-15-4)13-9(14)10(2)6-11(3,12)7-10/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide?
3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 233.74 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 20614522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).