N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide

C20H27N3O — CID 7496074

IUPACN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-15-6-8-17(9-7-15)20(24)21-14-19(23(4)5)16-10-12-18(13-11-16)22(2)3/h6-13,19H,14H2,1-5H3,(H,21,24)/t19-/m1/s1
InChIKeyDWLSVBRSBZNLPV-LJQANCHMSA-N
MW325.46 g/mol
LogP3.09
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide (PubChem CID 7496074) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
PubChem CID7496074
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-15-6-8-17(9-7-15)20(24)21-14-19(23(4)5)16-10-12-18(13-11-16)22(2)3/h6-13,19H,14H2,1-5H3,(H,21,24)/t19-/m1/s1
InChIKeyDWLSVBRSBZNLPV-LJQANCHMSA-N
XLogP3.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.09
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

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 7496136
4-butoxy-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 7496138
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-4-methylbenzamide
CID 7496511
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propanamide
CID 7496001
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
4-chloro-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-nitrobenzamide
CID 43956043

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide (CID 7496074) is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide?
The InChIKey is DWLSVBRSBZNLPV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-6-8-17(9-7-15)20(24)21-14-19(23(4)5)16-10-12-18(13-11-16)22(2)3/h6-13,19H,14H2,1-5H3,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide?
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide has a molecular weight of 325.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 7496074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).