4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide

C23H33N3O2 — CID 7496136

IUPAC4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C23H33N3O2/c1-6-7-16-28-21-14-10-19(11-15-21)23(27)24-17-22(26(4)5)18-8-12-20(13-9-18)25(2)3/h8-15,22H,6-7,16-17H2,1-5H3,(H,24,27)/t22-/m0/s1
InChIKeyQSQORAKFPTUFHM-QFIPXVFZSA-N
MW383.54 g/mol
LogP3.96
Rot. Bonds10

About 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide

4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide (PubChem CID 7496136) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
PubChem CID7496136
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1
InChIInChI=1S/C23H33N3O2/c1-6-7-16-28-21-14-10-19(11-15-21)23(27)24-17-22(26(4)5)18-8-12-20(13-9-18)25(2)3/h8-15,22H,6-7,16-17H2,1-5H3,(H,24,27)/t22-/m0/s1
InChIKeyQSQORAKFPTUFHM-QFIPXVFZSA-N
XLogP3.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.96
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 7496138
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
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
4-butoxy-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 27621600
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 45001628
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide (CID 7496136) is 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide is CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1.
What is the InChIKey of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The InChIKey is QSQORAKFPTUFHM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-6-7-16-28-21-14-10-19(11-15-21)23(27)24-17-22(26(4)5)18-8-12-20(13-9-18)25(2)3/h8-15,22H,6-7,16-17H2,1-5H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide?
4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide has a molecular weight of 383.54 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 7496136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).