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

C21H28N2O2 — CID 2433841

IUPAC4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-4-5-15-25-19-13-11-18(12-14-19)21(24)22-16-20(23(2)3)17-9-7-6-8-10-17/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyPKCNIWQCDLKKEE-FQEVSTJZSA-N
MW340.47 g/mol
LogP3.90
Rot. Bonds9

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

4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide (PubChem CID 2433841) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
PubChem CID2433841
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-4-5-15-25-19-13-11-18(12-14-19)21(24)22-16-20(23(2)3)17-9-7-6-8-10-17/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)/t20-/m0/s1
InChIKeyPKCNIWQCDLKKEE-FQEVSTJZSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 2433840
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(2-phenylethynyl)benzamide
CID 43044722
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
4-butoxy-N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethylbenzamide;4-butoxy-3,5-dimethylbenzoic acid;N,N-dimethyl-1-phenylethane-1,2-diamine
CID 158259954

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide (CID 2433841) is 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide is CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1.
What is the InChIKey of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide?
The InChIKey is PKCNIWQCDLKKEE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-5-15-25-19-13-11-18(12-14-19)21(24)22-16-20(23(2)3)17-9-7-6-8-10-17/h6-14,20H,4-5,15-16H2,1-3H3,(H,22,24)/t20-/m0/s1.
What are the key properties of 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide?
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 2433841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).