(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide

C21H28N2O2 — CID 837387

IUPAC(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-6-23(7-2)18-10-13-20(16(4)14-18)22-21(24)17(5)25-19-11-8-15(3)9-12-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)/t17-/m1/s1
InChIKeyVGBCVKWEPQRBCI-QGZVFWFLSA-N
MW340.47 g/mol
LogP4.56
Rot. Bonds7

About (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide

(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 837387) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
PubChem CID837387
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide
SMILESCCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-6-23(7-2)18-10-13-20(16(4)14-18)22-21(24)17(5)25-19-11-8-15(3)9-12-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)/t17-/m1/s1
InChIKeyVGBCVKWEPQRBCI-QGZVFWFLSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide (CID 837387) is (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide is CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(C)c1.
What is the InChIKey of (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is VGBCVKWEPQRBCI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-6-23(7-2)18-10-13-20(16(4)14-18)22-21(24)17(5)25-19-11-8-15(3)9-12-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide?
(2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 837387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).