(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide

C14H22N2O2 — CID 94797015

IUPAC(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
SMILESCCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-5-18-11(2)14(17)15-10-12-6-8-13(9-7-12)16(3)4/h6-9,11H,5,10H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyJBOKLRSBHLDBSM-LLVKDONJSA-N
MW250.34 g/mol
LogP1.79
Rot. Bonds6

About (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide

(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide (PubChem CID 94797015) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
PubChem CID94797015
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
SMILESCCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-5-18-11(2)14(17)15-10-12-6-8-13(9-7-12)16(3)4/h6-9,11H,5,10H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyJBOKLRSBHLDBSM-LLVKDONJSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282388
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 65229472
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide?
The IUPAC name of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide (CID 94797015) is (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide.
What is the SMILES notation for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide?
The canonical SMILES for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide is CCO[C@H](C)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide?
The InChIKey is JBOKLRSBHLDBSM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-11(2)14(17)15-10-12-6-8-13(9-7-12)16(3)4/h6-9,11H,5,10H2,1-4H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide?
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide is sourced from PubChem (CID 94797015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).