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

C25H29N3O — CID 7496027

IUPACN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N(C)C)cc1
InChIInChI=1S/C25H29N3O/c1-27(2)23-16-14-21(15-17-23)24(28(3)4)18-26-25(29)22-12-10-20(11-13-22)19-8-6-5-7-9-19/h5-17,24H,18H2,1-4H3,(H,26,29)/t24-/m1/s1
InChIKeyIIQBZQLFJRCKSF-XMMPIXPASA-N
MW387.53 g/mol
LogP4.45
Rot. Bonds7

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

N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide (PubChem CID 7496027) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
PubChem CID7496027
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
SMILESCN(C)c1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N(C)C)cc1
InChIInChI=1S/C25H29N3O/c1-27(2)23-16-14-21(15-17-23)24(28(3)4)18-26-25(29)22-12-10-20(11-13-22)19-8-6-5-7-9-19/h5-17,24H,18H2,1-4H3,(H,26,29)/t24-/m1/s1
InChIKeyIIQBZQLFJRCKSF-XMMPIXPASA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.45
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-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
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
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-1-carboxamide
CID 7496009
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide (CID 7496027) is N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide is CN(C)c1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)N(C)C)cc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide?
The InChIKey is IIQBZQLFJRCKSF-XMMPIXPASA-N. The full InChI is InChI=1S/C25H29N3O/c1-27(2)23-16-14-21(15-17-23)24(28(3)4)18-26-25(29)22-12-10-20(11-13-22)19-8-6-5-7-9-19/h5-17,24H,18H2,1-4H3,(H,26,29)/t24-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide?
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide has a molecular weight of 387.53 g/mol, XLogP of 4.45, 7 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-phenylbenzamide is sourced from PubChem (CID 7496027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).