2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide

C21H32N2O3 — CID 18672669

IUPAC2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide
SMILESCOC(Oc1cccc(N)c1)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c1-25-21(26-19-14-8-9-16(22)15-19)20(24)23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18,21H,2-7,10-13,22H2,1H3
InChIKeyCBYYMGKCLZIOQC-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.11
Rot. Bonds6

About 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide

2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide (PubChem CID 18672669) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide
PubChem CID18672669
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide
SMILESCOC(Oc1cccc(N)c1)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c1-25-21(26-19-14-8-9-16(22)15-19)20(24)23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18,21H,2-7,10-13,22H2,1H3
InChIKeyCBYYMGKCLZIOQC-UHFFFAOYSA-N
XLogP4.11
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)-2-methoxyacetamide
CID 152507296
2-(3-aminophenyl)sulfanyl-N,N-dicyclohexylacetamide
CID 18894930
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
CID 43613770
(2R)-2-(3-aminophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 100616621
(2S)-N-cyclopentyl-2-(3-methoxyphenoxy)-N-methylpropanamide
CID 92683784
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
2-(3-aminophenoxy)propanamide
CID 43115971
(3-aminophenyl) cyclopropanecarboxylate
CID 175156666
methyl 2-(3-aminophenoxy)butanoate
CID 18433398
N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
CID 143724449
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 78786309

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide?
The IUPAC name of 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide (CID 18672669) is 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide is COC(Oc1cccc(N)c1)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide?
The InChIKey is CBYYMGKCLZIOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-21(26-19-14-8-9-16(22)15-19)20(24)23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14-15,17-18,21H,2-7,10-13,22H2,1H3.
What are the key properties of 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide?
2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide has a molecular weight of 360.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N,N-dicyclohexyl-2-methoxyacetamide is sourced from PubChem (CID 18672669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).