N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide

C14H24ClNO2 — CID 12947607

IUPACN-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide
SMILESCCC(C)OCN(C(=O)CCl)C1=C(C)CCCC1
InChIInChI=1S/C14H24ClNO2/c1-4-12(3)18-10-16(14(17)9-15)13-8-6-5-7-11(13)2/h12H,4-10H2,1-3H3
InChIKeyHFKYJTTXAZAMSF-UHFFFAOYSA-N
MW273.80 g/mol
LogP3.67
Rot. Bonds6

About N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide

N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide (PubChem CID 12947607) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide
PubChem CID12947607
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide
SMILESCCC(C)OCN(C(=O)CCl)C1=C(C)CCCC1
InChIInChI=1S/C14H24ClNO2/c1-4-12(3)18-10-16(14(17)9-15)13-8-6-5-7-11(13)2/h12H,4-10H2,1-3H3
InChIKeyHFKYJTTXAZAMSF-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide?
The IUPAC name of N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide (CID 12947607) is N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide?
The canonical SMILES for N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide is CCC(C)OCN(C(=O)CCl)C1=C(C)CCCC1.
What is the InChIKey of N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide?
The InChIKey is HFKYJTTXAZAMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-4-12(3)18-10-16(14(17)9-15)13-8-6-5-7-11(13)2/h12H,4-10H2,1-3H3.
What are the key properties of N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide?
N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide has a molecular weight of 273.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yloxymethyl)-2-chloro-N-(2-methylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 12947607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).