N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane

C23H32N2O3 — CID 22909771

IUPACN-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane
SMILESCC.COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1NC=O
InChIInChI=1S/C21H26N2O3.C2H6/c1-15-6-7-17(11-16(15)2)5-4-10-22-21(25)13-18-8-9-19(23-14-24)20(12-18)26-3;1-2/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,22,25)(H,23,24);1-2H3
InChIKeyMEEXEVBQLICKSB-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.20
Rot. Bonds9

About N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane

N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane (PubChem CID 22909771) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane.

Molecular Properties

Compound NameN-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane
PubChem CID22909771
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane
SMILESCC.COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1NC=O
InChIInChI=1S/C21H26N2O3.C2H6/c1-15-6-7-17(11-16(15)2)5-4-10-22-21(25)13-18-8-9-19(23-14-24)20(12-18)26-3;1-2/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,22,25)(H,23,24);1-2H3
InChIKeyMEEXEVBQLICKSB-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
ethyl 3-amino-3-[4-[2-[3-(3,4-dimethylphenyl)propylamino]-2-oxoethyl]-2-methoxyphenoxy]propanoate
CID 69330570
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,4-dimethylphenyl)acetamide
CID 100514824
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
CID 19797599
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(methylamino)acetamide
CID 119754650
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane?
The IUPAC name of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane (CID 22909771) is N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane.
What is the SMILES notation for N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane?
The canonical SMILES for N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane is CC.COc1cc(CC(=O)NCCCc2ccc(C)c(C)c2)ccc1NC=O.
What is the InChIKey of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane?
The InChIKey is MEEXEVBQLICKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3.C2H6/c1-15-6-7-17(11-16(15)2)5-4-10-22-21(25)13-18-8-9-19(23-14-24)20(12-18)26-3;1-2/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,22,25)(H,23,24);1-2H3.
What are the key properties of N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane?
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane has a molecular weight of 384.52 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethylphenyl)propyl]-2-(4-formamido-3-methoxyphenyl)acetamide;ethane is sourced from PubChem (CID 22909771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).