N-(2-ethoxyphenyl)-4-heptoxybenzamide

C22H29NO3 — CID 4950665

IUPACN-(2-ethoxyphenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C22H29NO3/c1-3-5-6-7-10-17-26-19-15-13-18(14-16-19)22(24)23-20-11-8-9-12-21(20)25-4-2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H,23,24)
InChIKeyDOHJMHLNELFEEC-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.69
Rot. Bonds11

About N-(2-ethoxyphenyl)-4-heptoxybenzamide

N-(2-ethoxyphenyl)-4-heptoxybenzamide (PubChem CID 4950665) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-heptoxybenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-heptoxybenzamide
PubChem CID4950665
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-(2-ethoxyphenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C22H29NO3/c1-3-5-6-7-10-17-26-19-15-13-18(14-16-19)22(24)23-20-11-8-9-12-21(20)25-4-2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H,23,24)
InChIKeyDOHJMHLNELFEEC-UHFFFAOYSA-N
XLogP5.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.69
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

4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954
[2-[(4-octoxybenzoyl)amino]phenyl] dihydrogen phosphate
CID 155429698
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 7695459
[2-(2-ethoxyanilino)-2-oxoethyl] 4-hexoxybenzoate
CID 7574754
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131060
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
diethyl (Z)-2-[2-[(4-hexoxybenzoyl)amino]phenoxy]but-2-enedioate
CID 139926511

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-heptoxybenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-heptoxybenzamide (CID 4950665) is N-(2-ethoxyphenyl)-4-heptoxybenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-heptoxybenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-heptoxybenzamide?
The InChIKey is DOHJMHLNELFEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-5-6-7-10-17-26-19-15-13-18(14-16-19)22(24)23-20-11-8-9-12-21(20)25-4-2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H,23,24).
What are the key properties of N-(2-ethoxyphenyl)-4-heptoxybenzamide?
N-(2-ethoxyphenyl)-4-heptoxybenzamide has a molecular weight of 355.48 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-heptoxybenzamide is sourced from PubChem (CID 4950665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).