N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide

C21H28N2O2 — CID 14103749

IUPACN-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide
SMILESCCCCC(NOCc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-4-15-20(23-25-16-18-11-7-5-8-12-18)21(24)22-17(2)19-13-9-6-10-14-19/h5-14,17,20,23H,3-4,15-16H2,1-2H3,(H,22,24)
InChIKeyBSNIJRJNDJJDPV-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.14
Rot. Bonds10

About N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide

N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide (PubChem CID 14103749) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide
PubChem CID14103749
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide
SMILESCCCCC(NOCc1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-3-4-15-20(23-25-16-18-11-7-5-8-12-18)21(24)22-17(2)19-13-9-6-10-14-19/h5-14,17,20,23H,3-4,15-16H2,1-2H3,(H,22,24)
InChIKeyBSNIJRJNDJJDPV-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide?
The IUPAC name of N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide (CID 14103749) is N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide?
The canonical SMILES for N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide is CCCCC(NOCc1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide?
The InChIKey is BSNIJRJNDJJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-4-15-20(23-25-16-18-11-7-5-8-12-18)21(24)22-17(2)19-13-9-6-10-14-19/h5-14,17,20,23H,3-4,15-16H2,1-2H3,(H,22,24).
What are the key properties of N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide?
N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide has a molecular weight of 340.47 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(phenylmethoxyamino)hexanamide is sourced from PubChem (CID 14103749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).