N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide

C23H30N2O3 — CID 38810181

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-6-7-15-28-22-13-11-20(12-14-22)23(27)24-21-10-8-9-19(16-21)17-25(5-2)18(3)26/h8-14,16H,4-7,15,17H2,1-3H3,(H,24,27)
InChIKeyGYPWOVKPLJNHDA-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.88
Rot. Bonds10

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide (PubChem CID 38810181) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
PubChem CID38810181
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-6-7-15-28-22-13-11-20(12-14-22)23(27)24-21-10-8-9-19(16-21)17-25(5-2)18(3)26/h8-14,16H,4-7,15,17H2,1-3H3,(H,24,27)
InChIKeyGYPWOVKPLJNHDA-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[3-(methylsulfonylmethyl)phenyl]-4-pentoxybenzamide
CID 60605378
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]-4-heptoxybenzamide
CID 43912146
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide (CID 38810181) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cccc(CN(CC)C(C)=O)c2)cc1.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide?
The InChIKey is GYPWOVKPLJNHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-6-7-15-28-22-13-11-20(12-14-22)23(27)24-21-10-8-9-19(16-21)17-25(5-2)18(3)26/h8-14,16H,4-7,15,17H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide is sourced from PubChem (CID 38810181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).