2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide

C21H28N2O3 — CID 120588376

IUPAC2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
SMILESCCCCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-4-5-13-26-18-12-11-16(14-19(18)25-3)15-23-20(24)21(2,22)17-9-7-6-8-10-17/h6-12,14H,4-5,13,15,22H2,1-3H3,(H,23,24)
InChIKeyXOBFTPRXQVAOIN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds9

About 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide

2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide (PubChem CID 120588376) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
PubChem CID120588376
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
SMILESCCCCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-4-5-13-26-18-12-11-16(14-19(18)25-3)15-23-20(24)21(2,22)17-9-7-6-8-10-17/h6-12,14H,4-5,13,15,22H2,1-3H3,(H,23,24)
InChIKeyXOBFTPRXQVAOIN-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120588375
2-amino-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120588377
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120592099
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
CID 120592359
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
CID 119714660
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide (CID 120588376) is 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide is CCCCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1OC.
What is the InChIKey of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide?
The InChIKey is XOBFTPRXQVAOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-5-13-26-18-12-11-16(14-19(18)25-3)15-23-20(24)21(2,22)17-9-7-6-8-10-17/h6-12,14H,4-5,13,15,22H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide?
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 120588376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).