N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide

C21H26N2O3 — CID 87025092

IUPACN-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-23(5-2)21(25)17-12-10-16(11-13-17)15-22-20(24)18-8-7-9-19(14-18)26-6-3/h7-14H,4-6,15H2,1-3H3,(H,22,24)
InChIKeyFCWZLWBMFXFTQB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.50
Rot. Bonds8

About N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide

N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide (PubChem CID 87025092) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
PubChem CID87025092
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-23(5-2)21(25)17-12-10-16(11-13-17)15-22-20(24)18-8-7-9-19(14-18)26-6-3/h7-14H,4-6,15H2,1-3H3,(H,22,24)
InChIKeyFCWZLWBMFXFTQB-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide?
The IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide (CID 87025092) is N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide?
The canonical SMILES for N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)c1.
What is the InChIKey of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide?
The InChIKey is FCWZLWBMFXFTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-23(5-2)21(25)17-12-10-16(11-13-17)15-22-20(24)18-8-7-9-19(14-18)26-6-3/h7-14H,4-6,15H2,1-3H3,(H,22,24).
What are the key properties of N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide?
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxybenzamide is sourced from PubChem (CID 87025092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).