N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide

C14H22N2O3 — CID 79204146

IUPACN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
SMILESCCN(CCO)c1ccc(NC(=O)CCCO)cc1
InChIInChI=1S/C14H22N2O3/c1-2-16(9-11-18)13-7-5-12(6-8-13)15-14(19)4-3-10-17/h5-8,17-18H,2-4,9-11H2,1H3,(H,15,19)
InChIKeyFAAGRTAAUWNSMK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.22
Rot. Bonds8

About N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide

N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide (PubChem CID 79204146) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
PubChem CID79204146
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
SMILESCCN(CCO)c1ccc(NC(=O)CCCO)cc1
InChIInChI=1S/C14H22N2O3/c1-2-16(9-11-18)13-7-5-12(6-8-13)15-14(19)4-3-10-17/h5-8,17-18H,2-4,9-11H2,1H3,(H,15,19)
InChIKeyFAAGRTAAUWNSMK-UHFFFAOYSA-N
XLogP1.22
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
3-(cyclopropylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945915
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
5-bromo-N-[4-(diethylamino)phenyl]pentanamide
CID 107907428
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]butanamide
CID 62837414
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide?
The IUPAC name of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide (CID 79204146) is N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide is CCN(CCO)c1ccc(NC(=O)CCCO)cc1.
What is the InChIKey of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide?
The InChIKey is FAAGRTAAUWNSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-16(9-11-18)13-7-5-12(6-8-13)15-14(19)4-3-10-17/h5-8,17-18H,2-4,9-11H2,1H3,(H,15,19).
What are the key properties of N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide?
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide has a molecular weight of 266.34 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide is sourced from PubChem (CID 79204146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).