N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide

C21H29N3O2 — CID 7496094

IUPACN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C21H29N3O2/c1-16-8-6-7-9-20(16)26-15-21(25)22-14-19(24(4)5)17-10-12-18(13-11-17)23(2)3/h6-13,19H,14-15H2,1-5H3,(H,22,25)/t19-/m0/s1
InChIKeyULWNCUXVGIZELN-IBGZPJMESA-N
MW355.48 g/mol
LogP2.86
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 7496094) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID7496094
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C
InChIInChI=1S/C21H29N3O2/c1-16-8-6-7-9-20(16)26-15-21(25)22-14-19(24(4)5)17-10-12-18(13-11-17)23(2)3/h6-13,19H,14-15H2,1-5H3,(H,22,25)/t19-/m0/s1
InChIKeyULWNCUXVGIZELN-IBGZPJMESA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 45155077
N-[2-(diethylamino)-2-phenylethyl]-2-(2-methylphenoxy)acetamide
CID 18167114
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19114396
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26819035
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 43955991
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 43956882
N-[4-(dimethylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 2443872
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-ethoxyacetamide
CID 7495981
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide (CID 7496094) is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is ULWNCUXVGIZELN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-8-6-7-9-20(16)26-15-21(25)22-14-19(24(4)5)17-10-12-18(13-11-17)23(2)3/h6-13,19H,14-15H2,1-5H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide?
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 355.48 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 7496094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).