4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide

C22H23N3O3 — CID 166323346

IUPAC4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C22H23N3O3/c1-4-28-20-12-11-16(22(27)24(2)3)15-18(20)23-21(26)17-9-5-6-10-19(17)25-13-7-8-14-25/h5-15H,4H2,1-3H3,(H,23,26)
InChIKeyNSWMHWWHIUGZSU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.83
Rot. Bonds6

About 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide

4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide (PubChem CID 166323346) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide
PubChem CID166323346
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide
SMILESCCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C22H23N3O3/c1-4-28-20-12-11-16(22(27)24(2)3)15-18(20)23-21(26)17-9-5-6-10-19(17)25-13-7-8-14-25/h5-15H,4H2,1-3H3,(H,23,26)
InChIKeyNSWMHWWHIUGZSU-UHFFFAOYSA-N
XLogP3.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]-2-methylbenzamide
CID 120638221
N-(5-acetyl-2-ethoxyphenyl)-2-methylbenzamide
CID 82156333
methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
CID 118626412
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
4-ethoxy-N,N-dimethyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119816573
5-[5-(dimethylcarbamoyl)-2-ethoxyanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119148530
3-(2-aminopentanoylamino)-4-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119342429
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
3-bromo-N-[[2-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17074073
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide?
The IUPAC name of 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide (CID 166323346) is 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide.
What is the SMILES notation for 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide?
The canonical SMILES for 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide is CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide?
The InChIKey is NSWMHWWHIUGZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-28-20-12-11-16(22(27)24(2)3)15-18(20)23-21(26)17-9-5-6-10-19(17)25-13-7-8-14-25/h5-15H,4H2,1-3H3,(H,23,26).
What are the key properties of 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide?
4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dimethyl-3-[(2-pyrrol-1-ylbenzoyl)amino]benzamide is sourced from PubChem (CID 166323346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).