N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide

C15H23ClN2O2 — CID 119664820

IUPACN-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCCCC(CN)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C15H23ClN2O2/c1-3-4-5-13(9-17)18-15(19)10-20-14-7-6-12(16)8-11(14)2/h6-8,13H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyMLPVCVWAGYGWPW-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.66
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide

N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 119664820) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID119664820
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCCCC(CN)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C15H23ClN2O2/c1-3-4-5-13(9-17)18-15(19)10-20-14-7-6-12(16)8-11(14)2/h6-8,13H,3-5,9-10,17H2,1-2H3,(H,18,19)
InChIKeyMLPVCVWAGYGWPW-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(2,4-dichlorophenoxy)acetamide;hydrochloride
CID 119664799
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N-(1-aminohexan-2-yl)-2-(2-chloro-4-fluorophenoxy)acetamide;hydrochloride
CID 119664901
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
1-[2-(4-chloro-2-methylphenoxy)acetyl]oxypentylphosphonic acid
CID 71724179
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
N-(1-aminohexan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119667507
N-(1-aminohexan-2-yl)-2-naphthalen-1-yloxyacetamide;hydrochloride
CID 119666910
(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 119664820) is N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide is CCCCC(CN)NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is MLPVCVWAGYGWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-4-5-13(9-17)18-15(19)10-20-14-7-6-12(16)8-11(14)2/h6-8,13H,3-5,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 298.81 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 119664820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).