N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide

C17H27ClN2O2 — CID 119730916

IUPACN-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(CCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O2/c1-13(2)4-9-16(14-5-7-15(18)8-6-14)20-17(21)12-19-10-11-22-3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyGWYMPBHTBHPWIM-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.17
Rot. Bonds10

About N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide

N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119730916) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119730916
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NC(CCC(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O2/c1-13(2)4-9-16(14-5-7-15(18)8-6-14)20-17(21)12-19-10-11-22-3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,20,21)
InChIKeyGWYMPBHTBHPWIM-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
N-(1,3-diphenylpropyl)-2-(2-methoxyethylamino)acetamide
CID 119737630
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
3-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79281949
2-(2-methoxyethylamino)-N-[1-(4-methoxyphenyl)propyl]acetamide;hydrochloride
CID 119689364
N-[1-(3,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119686021
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119804666
2-(2-methoxyethylamino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364417
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide (CID 119730916) is N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NC(CCC(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is GWYMPBHTBHPWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c1-13(2)4-9-16(14-5-7-15(18)8-6-14)20-17(21)12-19-10-11-22-3/h5-8,13,16,19H,4,9-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide?
N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 326.87 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-4-methylpentyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119730916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).