2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide

C17H26N2O2 — CID 65349877

IUPAC2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
SMILESNc1cccc(CC(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c18-15-7-4-6-14(12-15)13-17(20)19-10-5-11-21-16-8-2-1-3-9-16/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20)
InChIKeyRDDUZHDDCPDGFB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.67
Rot. Bonds7

About 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide

2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 65349877) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID65349877
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
SMILESNc1cccc(CC(=O)NCCCOC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c18-15-7-4-6-14(12-15)13-17(20)19-10-5-11-21-16-8-2-1-3-9-16/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20)
InChIKeyRDDUZHDDCPDGFB-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
cycloheptyl 2-(3-aminophenyl)acetate
CID 62499374
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
1-(3-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63823532
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
2-(4-chloro-2-fluorophenyl)-N-(3-cyclopentyloxypropyl)acetamide
CID 100564682
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide (CID 65349877) is 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide is Nc1cccc(CC(=O)NCCCOC2CCCCC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is RDDUZHDDCPDGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-15-7-4-6-14(12-15)13-17(20)19-10-5-11-21-16-8-2-1-3-9-16/h4,6-7,12,16H,1-3,5,8-11,13,18H2,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide?
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 65349877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).