N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide

C16H23ClN2O2 — CID 2549278

IUPACN-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-19(13-6-4-3-5-7-13)11-16(20)18-12-8-9-15(21-2)14(17)10-12/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyKVKRIUMTXRCBIN-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.55
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide (PubChem CID 2549278) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
PubChem CID2549278
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-19(13-6-4-3-5-7-13)11-16(20)18-12-8-9-15(21-2)14(17)10-12/h8-10,13H,3-7,11H2,1-2H3,(H,18,20)
InChIKeyKVKRIUMTXRCBIN-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide (CID 2549278) is N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide is COc1ccc(NC(=O)CN(C)C2CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
The InChIKey is KVKRIUMTXRCBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-19(13-6-4-3-5-7-13)11-16(20)18-12-8-9-15(21-2)14(17)10-12/h8-10,13H,3-7,11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide has a molecular weight of 310.82 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide is sourced from PubChem (CID 2549278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).