[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium

C21H29N2O2+ — CID 2433840

IUPAC[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
SMILESCCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](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)/p+1/t20-/m0/s1
InChIKeyPKCNIWQCDLKKEE-FQEVSTJZSA-O
MW341.48 g/mol
LogP2.48
Rot. Bonds9

About [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium

[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium (PubChem CID 2433840) has the molecular formula C21H29N2O2+ and a molecular weight of 341.48 g/mol. Its IUPAC name is [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
PubChem CID2433840
Molecular FormulaC21H29N2O2+
Molecular Weight341.48 g/mol
Exact Mass341.22
IUPAC Name[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
SMILESCCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](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)/p+1/t20-/m0/s1
InChIKeyPKCNIWQCDLKKEE-FQEVSTJZSA-O
XLogP2.48
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
[(1R)-2-[(4-butoxybenzoyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium
CID 2564831
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
dimethyl-[(1R)-1-phenyl-2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]azanium
CID 2408731
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
4-heptoxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 98156453
4-heptoxy-N-(2-hydroxypropyl)benzamide
CID 3390549
[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 7897281
N-(2-ethylhexyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 133239632

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium (CID 2433840) is [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium is CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1.
What is the InChIKey of [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium?
The InChIKey is PKCNIWQCDLKKEE-FQEVSTJZSA-O. 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)/p+1/t20-/m0/s1.
What are the key properties of [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium?
[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium has a molecular weight of 341.48 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium is sourced from PubChem (CID 2433840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).