2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide

C21H28N2O3 — CID 119732092

IUPAC2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)Cc2ccc(N)cc2)ccc1OCC(C)C
InChIInChI=1S/C21H28N2O3/c1-14(2)13-26-19-10-7-17(12-20(19)25-4)15(3)23-21(24)11-16-5-8-18(22)9-6-16/h5-10,12,14-15H,11,13,22H2,1-4H3,(H,23,24)
InChIKeyHLTHITDRVWYSOV-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.73
Rot. Bonds8

About 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide

2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (PubChem CID 119732092) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
PubChem CID119732092
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)Cc2ccc(N)cc2)ccc1OCC(C)C
InChIInChI=1S/C21H28N2O3/c1-14(2)13-26-19-10-7-17(12-20(19)25-4)15(3)23-21(24)11-16-5-8-18(22)9-6-16/h5-10,12,14-15H,11,13,22H2,1-4H3,(H,23,24)
InChIKeyHLTHITDRVWYSOV-UHFFFAOYSA-N
XLogP3.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940486
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511204
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (CID 119732092) is 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is COc1cc(C(C)NC(=O)Cc2ccc(N)cc2)ccc1OCC(C)C.
What is the InChIKey of 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The InChIKey is HLTHITDRVWYSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(2)13-26-19-10-7-17(12-20(19)25-4)15(3)23-21(24)11-16-5-8-18(22)9-6-16/h5-10,12,14-15H,11,13,22H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 119732092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).