N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide

C18H22N2O2 — CID 22769480

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c21-17(16-9-5-2-6-10-16)14-19-11-12-20-18(22)13-15-7-3-1-4-8-15/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyVBIHXJQDOUPCHR-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.67
Rot. Bonds8

About N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide (PubChem CID 22769480) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide
PubChem CID22769480
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCNCC(O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c21-17(16-9-5-2-6-10-16)14-19-11-12-20-18(22)13-15-7-3-1-4-8-15/h1-10,17,19,21H,11-14H2,(H,20,22)
InChIKeyVBIHXJQDOUPCHR-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((1-Ethyl-2-pyrrolidinyl)methyl)-alpha-hydroxy-alpha-phenylbenzeneacetamide
CID 68862
Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118
1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
CID 3129
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
DL-threo-PDMP
CID 11957678
N-(2-hydroxy-2-phenylethyl)benzamide
CID 458553
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719
Secoclausenamide
CID 10424832
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide (CID 22769480) is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCNCC(O)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide?
The InChIKey is VBIHXJQDOUPCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(16-9-5-2-6-10-16)14-19-11-12-20-18(22)13-15-7-3-1-4-8-15/h1-10,17,19,21H,11-14H2,(H,20,22).
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide?
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide has a molecular weight of 298.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 22769480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).