N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide

C23H27NO2 — CID 66635233

IUPACN-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide
SMILESCCCOc1ccc(C#Cc2ccc(C(C)(C)CNC(C)=O)cc2)cc1
InChIInChI=1S/C23H27NO2/c1-5-16-26-22-14-10-20(11-15-22)7-6-19-8-12-21(13-9-19)23(3,4)17-24-18(2)25/h8-15H,5,16-17H2,1-4H3,(H,24,25)
InChIKeyHOWHQVMHQGCKHD-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.29
Rot. Bonds6

About N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide

N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide (PubChem CID 66635233) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide
PubChem CID66635233
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide
SMILESCCCOc1ccc(C#Cc2ccc(C(C)(C)CNC(C)=O)cc2)cc1
InChIInChI=1S/C23H27NO2/c1-5-16-26-22-14-10-20(11-15-22)7-6-19-8-12-21(13-9-19)23(3,4)17-24-18(2)25/h8-15H,5,16-17H2,1-4H3,(H,24,25)
InChIKeyHOWHQVMHQGCKHD-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
2-(4-propoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60998457
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
4-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]pentan-2-one
CID 157497221
methyl 2-(4-propoxyphenyl)-2-(prop-2-ynylamino)propanoate
CID 62365989
methyl 2-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-2-methylpropanoate
CID 125497316
N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
CID 115191439
4-[2-(4-hexoxyphenyl)ethynyl]benzoic acid
CID 122365436
ethyl 3-(ethylamino)-3-(4-propoxyphenyl)butanoate
CID 65233555
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide
CID 61024007

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide?
The IUPAC name of N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide (CID 66635233) is N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide.
What is the SMILES notation for N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide?
The canonical SMILES for N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide is CCCOc1ccc(C#Cc2ccc(C(C)(C)CNC(C)=O)cc2)cc1.
What is the InChIKey of N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide?
The InChIKey is HOWHQVMHQGCKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-5-16-26-22-14-10-20(11-15-22)7-6-19-8-12-21(13-9-19)23(3,4)17-24-18(2)25/h8-15H,5,16-17H2,1-4H3,(H,24,25).
What are the key properties of N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide?
N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide has a molecular weight of 349.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[4-[2-(4-propoxyphenyl)ethynyl]phenyl]propyl]acetamide is sourced from PubChem (CID 66635233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).