N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide

C16H24ClNO2 — CID 39418874

IUPACN-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCl
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)14-7-5-13(6-8-14)12-18(9-10-20-4)15(19)11-17/h5-8H,9-12H2,1-4H3
InChIKeyPEXRIYXQBFCMFQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.20
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide

N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide (PubChem CID 39418874) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide
PubChem CID39418874
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCl
InChIInChI=1S/C16H24ClNO2/c1-16(2,3)14-7-5-13(6-8-14)12-18(9-10-20-4)15(19)11-17/h5-8H,9-12H2,1-4H3
InChIKeyPEXRIYXQBFCMFQ-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide (CID 39418874) is N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCl.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide?
The InChIKey is PEXRIYXQBFCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-16(2,3)14-7-5-13(6-8-14)12-18(9-10-20-4)15(19)11-17/h5-8H,9-12H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide?
N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide has a molecular weight of 297.83 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-chloro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 39418874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).