2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide

C17H26N2O2 — CID 116694375

IUPAC2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCOCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c18-16(20)17(19,15-9-5-2-6-10-15)11-12-21-13-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,11-13,19H2,(H2,18,20)
InChIKeyNPUYHDQONGDGHM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds7

About 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide

2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide (PubChem CID 116694375) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
PubChem CID116694375
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
SMILESNC(=O)C(N)(CCOCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c18-16(20)17(19,15-9-5-2-6-10-15)11-12-21-13-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,11-13,19H2,(H2,18,20)
InChIKeyNPUYHDQONGDGHM-UHFFFAOYSA-N
XLogP2.31
TPSA78.34 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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide (CID 116694375) is 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide is NC(=O)C(N)(CCOCC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide?
The InChIKey is NPUYHDQONGDGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-16(20)17(19,15-9-5-2-6-10-15)11-12-21-13-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,11-13,19H2,(H2,18,20).
What are the key properties of 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide?
2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide is sourced from PubChem (CID 116694375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).