N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide

C21H28N2O3 — CID 119526277

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O3/c1-15(2)16-4-6-17(7-5-16)20(22)14-23-21(24)18-8-10-19(11-9-18)26-13-12-25-3/h4-11,15,20H,12-14,22H2,1-3H3,(H,23,24)
InChIKeyJGQFMVCRLGYGBG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.27
Rot. Bonds9

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide (PubChem CID 119526277) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide
PubChem CID119526277
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O3/c1-15(2)16-4-6-17(7-5-16)20(22)14-23-21(24)18-8-10-19(11-9-18)26-13-12-25-3/h4-11,15,20H,12-14,22H2,1-3H3,(H,23,24)
InChIKeyJGQFMVCRLGYGBG-UHFFFAOYSA-N
XLogP3.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.27
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

4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
N-(2-aminopropyl)-4-butoxybenzamide
CID 63732303
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
sodium 4-[2-[(4-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 23698334
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119526888
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide (CID 119526277) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)NCC(N)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide?
The InChIKey is JGQFMVCRLGYGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15(2)16-4-6-17(7-5-16)20(22)14-23-21(24)18-8-10-19(11-9-18)26-13-12-25-3/h4-11,15,20H,12-14,22H2,1-3H3,(H,23,24).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide has a molecular weight of 356.47 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 119526277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).