3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide

C18H22N2O3 — CID 143395384

IUPAC3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNCCO)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c21-13-12-19-11-10-18(22)20-16-6-8-17(9-7-16)23-14-15-4-2-1-3-5-15/h1-9,19,21H,10-14H2,(H,20,22)
InChIKeyFQTHTQMWOJAEGP-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.18
Rot. Bonds9

About 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide

3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 143395384) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID143395384
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNCCO)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c21-13-12-19-11-10-18(22)20-16-6-8-17(9-7-16)23-14-15-4-2-1-3-5-15/h1-9,19,21H,10-14H2,(H,20,22)
InChIKeyFQTHTQMWOJAEGP-UHFFFAOYSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Practolol
CID 4883
Sembragiline
CID 10246762
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Practolol, (S)-
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4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
CID 24768560
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
CID 44129620
3-(4-Ethoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 3427706
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
N-(4-methylphenyl)-3-phenoxypropanamide
CID 725622
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxo-
CID 54676680

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide (CID 143395384) is 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCNCCO)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is FQTHTQMWOJAEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-12-19-11-10-18(22)20-16-6-8-17(9-7-16)23-14-15-4-2-1-3-5-15/h1-9,19,21H,10-14H2,(H,20,22).
What are the key properties of 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide?
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 314.38 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 143395384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).