N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

C15H22N2O2 — CID 111423165

IUPACN-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C15H22N2O2/c1-3-8-17(9-10-18)12-15(19)16-14-7-5-6-13(4-2)11-14/h3,5-7,11,18H,1,4,8-10,12H2,2H3,(H,16,19)
InChIKeyVFBLZPSEPVLTSM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.67
Rot. Bonds8

About N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (PubChem CID 111423165) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
PubChem CID111423165
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C15H22N2O2/c1-3-8-17(9-10-18)12-15(19)16-14-7-5-6-13(4-2)11-14/h3,5-7,11,18H,1,4,8-10,12H2,2H3,(H,16,19)
InChIKeyVFBLZPSEPVLTSM-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
N-(3-chlorophenyl)-3-[2-hydroxyethyl(prop-2-enyl)amino]propanamide
CID 111423199
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
3-(3-ethylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431118
N-(2-acetylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 115631892
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
2-[[amino-(prop-2-enylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110930350
N-[3-(aminomethyl)phenyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
CID 107478853
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (CID 111423165) is N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is C=CCN(CCO)CC(=O)Nc1cccc(CC)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The InChIKey is VFBLZPSEPVLTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-8-17(9-10-18)12-15(19)16-14-7-5-6-13(4-2)11-14/h3,5-7,11,18H,1,4,8-10,12H2,2H3,(H,16,19).
What are the key properties of N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 111423165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).