2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide

C21H27NO2 — CID 11174765

IUPAC2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
SMILESCCCCCC(O)(C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-3-10-16-21(24,19-13-8-5-9-14-19)20(23)22-17-15-18-11-6-4-7-12-18/h4-9,11-14,24H,2-3,10,15-17H2,1H3,(H,22,23)
InChIKeyPQLPWEFAMBMIGT-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.81
Rot. Bonds9

About 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide

2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide (PubChem CID 11174765) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide.

Molecular Properties

Compound Name2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
PubChem CID11174765
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
SMILESCCCCCC(O)(C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-3-10-16-21(24,19-13-8-5-9-14-19)20(23)22-17-15-18-11-6-4-7-12-18/h4-9,11-14,24H,2-3,10,15-17H2,1H3,(H,22,23)
InChIKeyPQLPWEFAMBMIGT-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-((1-Ethyl-2-pyrrolidinyl)methyl)-alpha-hydroxy-alpha-phenylbenzeneacetamide
CID 68862
2-Hydroxy-2,2-diphenylacetamide
CID 78483
(R)-1-(4-Aminopiperidin-1-yl)-2-cyclopentyl-2-hydroxy-2-phenylethanone
CID 15888011
Atrolactamide
CID 16235
2-Hydroxy-2-phenylbutyramide
CID 86230
2-Hydroxy-2-phenylnonanamide
CID 10131164
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[(2,2-dihydroxy-2-phenylacetyl)amino]-4-methylpentanamide
CID 44300242
(R)-1-[4-(2-Amino-ethyl)-4-ethyl-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309231
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 9799291

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide?
The IUPAC name of 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide (CID 11174765) is 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide.
What is the SMILES notation for 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide?
The canonical SMILES for 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide is CCCCCC(O)(C(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide?
The InChIKey is PQLPWEFAMBMIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-3-10-16-21(24,19-13-8-5-9-14-19)20(23)22-17-15-18-11-6-4-7-12-18/h4-9,11-14,24H,2-3,10,15-17H2,1H3,(H,22,23).
What are the key properties of 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide?
2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide has a molecular weight of 325.45 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide is sourced from PubChem (CID 11174765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).