N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide

C16H23ClN2O2 — CID 63871131

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide
SMILESNC1CCC(OCCNC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c17-13-3-1-12(2-4-13)11-16(20)19-9-10-21-15-7-5-14(18)6-8-15/h1-4,14-15H,5-11,18H2,(H,19,20)
InChIKeyKSZSKEVFCBWIOC-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 63871131) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide
PubChem CID63871131
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide
SMILESNC1CCC(OCCNC(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c17-13-3-1-12(2-4-13)11-16(20)19-9-10-21-15-7-5-14(18)6-8-15/h1-4,14-15H,5-11,18H2,(H,19,20)
InChIKeyKSZSKEVFCBWIOC-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide (CID 63871131) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide is NC1CCC(OCCNC(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is KSZSKEVFCBWIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-13-3-1-12(2-4-13)11-16(20)19-9-10-21-15-7-5-14(18)6-8-15/h1-4,14-15H,5-11,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 310.82 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 63871131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).