N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide

C9H16ClNO2 — CID 114298835

IUPACN-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide
SMILESCOCC(Cl)CNC(=O)CC1CC1
InChIInChI=1S/C9H16ClNO2/c1-13-6-8(10)5-11-9(12)4-7-2-3-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyVMBLVEMLUDHPLS-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.16
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide

N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide (PubChem CID 114298835) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide
PubChem CID114298835
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide
SMILESCOCC(Cl)CNC(=O)CC1CC1
InChIInChI=1S/C9H16ClNO2/c1-13-6-8(10)5-11-9(12)4-7-2-3-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyVMBLVEMLUDHPLS-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(3-chloro-4-methoxybutyl)-2-(thian-4-yl)acetamide
CID 106244228
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
N-(2-chlorobutyl)-2-cycloheptylacetamide
CID 114459139
N-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
N-(2-chloro-3-methoxypropyl)thiane-2-carboxamide
CID 114298861
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
N-(2-aminobutyl)-2-cyclopropylacetamide
CID 63733245
2-cyclobutyl-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877418
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
N-(2-chloro-3-methoxypropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311002
2-(4-aminocyclohexyl)-N-(2,3-dimethylbutyl)acetamide
CID 64583220

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide (CID 114298835) is N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide is COCC(Cl)CNC(=O)CC1CC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide?
The InChIKey is VMBLVEMLUDHPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-13-6-8(10)5-11-9(12)4-7-2-3-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide?
N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide has a molecular weight of 205.68 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-cyclopropylacetamide is sourced from PubChem (CID 114298835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).