2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide

C15H24N2O2 — CID 55183029

IUPAC2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H24N2O2/c1-5-10-17(11-15(19)16(3)4)14-8-6-13(7-9-14)12(2)18/h6-9,12,18H,5,10-11H2,1-4H3/t12-/m1/s1
InChIKeyNXXOWBNRJXVUAM-GFCCVEGCSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds6

About 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide

2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide (PubChem CID 55183029) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide
PubChem CID55183029
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C15H24N2O2/c1-5-10-17(11-15(19)16(3)4)14-8-6-13(7-9-14)12(2)18/h6-9,12,18H,5,10-11H2,1-4H3/t12-/m1/s1
InChIKeyNXXOWBNRJXVUAM-GFCCVEGCSA-N
XLogP2.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 83131620
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
2-(3-bromo-4-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 107276141
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
2-(4-carbamothioyl-3-chloro-N-propylanilino)-N,N-dimethylacetamide
CID 62948300
2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 104533692
(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol
CID 78939931
2-[4-amino-3-(cyanomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 102624101
2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide
CID 106529174
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide (CID 55183029) is 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1ccc([C@@H](C)O)cc1.
What is the InChIKey of 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide?
The InChIKey is NXXOWBNRJXVUAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-10-17(11-15(19)16(3)4)14-8-6-13(7-9-14)12(2)18/h6-9,12,18H,5,10-11H2,1-4H3/t12-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide?
2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxyethyl]-N-propylanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 55183029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).