2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide

C17H26N2O2 — CID 62708775

IUPAC2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide
SMILESCC(C)C1CCC(Nc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)13-3-5-14(6-4-13)19-15-7-9-16(10-8-15)21-11-17(18)20/h7-10,12-14,19H,3-6,11H2,1-2H3,(H2,18,20)
InChIKeyAANZRGZLYTZISE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds6

About 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide

2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide (PubChem CID 62708775) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide
PubChem CID62708775
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide
SMILESCC(C)C1CCC(Nc2ccc(OCC(N)=O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)13-3-5-14(6-4-13)19-15-7-9-16(10-8-15)21-11-17(18)20/h7-10,12-14,19H,3-6,11H2,1-2H3,(H2,18,20)
InChIKeyAANZRGZLYTZISE-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-propan-2-ylcyclobutyl)amino]phenoxy]acetamide
CID 103561296
2-[4-(thian-4-ylamino)phenoxy]acetamide
CID 43711231
2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide
CID 79461446
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
CID 43711137
2-[4-(1-cyclopropylpropylamino)phenoxy]acetamide
CID 64918188
2-[4-(2,3-dihydro-1H-inden-2-ylamino)phenoxy]acetamide
CID 43711232
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
methyl 2-[4-(cyclooctylamino)phenoxy]acetate
CID 43676794
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
N-(4-propan-2-ylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 63422574
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
CID 61308415

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide (CID 62708775) is 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide is CC(C)C1CCC(Nc2ccc(OCC(N)=O)cc2)CC1.
What is the InChIKey of 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide?
The InChIKey is AANZRGZLYTZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)13-3-5-14(6-4-13)19-15-7-9-16(10-8-15)21-11-17(18)20/h7-10,12-14,19H,3-6,11H2,1-2H3,(H2,18,20).
What are the key properties of 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide?
2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide is sourced from PubChem (CID 62708775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).