N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride

C21H29ClN2O3 — CID 119528577

IUPACN-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NCC(N)c2ccccc2)cc1OCC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-3-5-13-26-19-12-11-17(14-20(19)25-4-2)21(24)23-15-18(22)16-9-7-6-8-10-16;/h6-12,14,18H,3-5,13,15,22H2,1-2H3,(H,23,24);1H
InChIKeySQTVKAALXNNSKV-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.12
Rot. Bonds10

About N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride (PubChem CID 119528577) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
PubChem CID119528577
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC NameN-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NCC(N)c2ccccc2)cc1OCC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-3-5-13-26-19-12-11-17(14-20(19)25-4-2)21(24)23-15-18(22)16-9-7-6-8-10-16;/h6-12,14,18H,3-5,13,15,22H2,1-2H3,(H,23,24);1H
InChIKeySQTVKAALXNNSKV-UHFFFAOYSA-N
XLogP4.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
4-butoxy-3-ethoxy-N-(4-phenylphenyl)benzamide
CID 9452358

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride (CID 119528577) is N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride is CCCCOc1ccc(C(=O)NCC(N)c2ccccc2)cc1OCC.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride?
The InChIKey is SQTVKAALXNNSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-3-5-13-26-19-12-11-17(14-20(19)25-4-2)21(24)23-15-18(22)16-9-7-6-8-10-16;/h6-12,14,18H,3-5,13,15,22H2,1-2H3,(H,23,24);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride is sourced from PubChem (CID 119528577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).