N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide

C19H28N2O4 — CID 40659124

IUPACN-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCCCOC1CCCCC1
InChIInChI=1S/C19H28N2O4/c22-18(20-12-7-13-24-16-8-3-1-4-9-16)14-21-19(23)15-25-17-10-5-2-6-11-17/h2,5-6,10-11,16H,1,3-4,7-9,12-15H2,(H,20,22)(H,21,23)
InChIKeyQLJAUURSWDDETC-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.04
Rot. Bonds10

About N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 40659124) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID40659124
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCCCOC1CCCCC1
InChIInChI=1S/C19H28N2O4/c22-18(20-12-7-13-24-16-8-3-1-4-9-16)14-21-19(23)15-25-17-10-5-2-6-11-17/h2,5-6,10-11,16H,1,3-4,7-9,12-15H2,(H,20,22)(H,21,23)
InChIKeyQLJAUURSWDDETC-UHFFFAOYSA-N
XLogP2.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
N-[3-[2-(3-cyclohexyloxypropylamino)-2-oxoethoxy]phenyl]benzamide
CID 78902869
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide
CID 166266578
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 40659124) is N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide is O=C(CNC(=O)COc1ccccc1)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is QLJAUURSWDDETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-18(20-12-7-13-24-16-8-3-1-4-9-16)14-21-19(23)15-25-17-10-5-2-6-11-17/h2,5-6,10-11,16H,1,3-4,7-9,12-15H2,(H,20,22)(H,21,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 40659124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).