N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide

C21H26N2O4 — CID 1307408

IUPACN-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C21H26N2O4/c1-4-9-20(24)22-16-10-7-8-11-17(16)23-21(25)15-12-13-18(26-5-2)19(14-15)27-6-3/h7-8,10-14H,4-6,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVFMMCTJENBSQCS-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.47
Rot. Bonds9

About N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide

N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide (PubChem CID 1307408) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
PubChem CID1307408
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C21H26N2O4/c1-4-9-20(24)22-16-10-7-8-11-17(16)23-21(25)15-12-13-18(26-5-2)19(14-15)27-6-3/h7-8,10-14H,4-6,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVFMMCTJENBSQCS-UHFFFAOYSA-N
XLogP4.47
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
3,4-diethoxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 119437877
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582
N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 2993732
3-ethoxy-N-(2-fluorophenyl)-4-(2-methylpropoxy)benzamide
CID 9413695
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
N-(2-carbamoylphenyl)-4-ethoxy-3-methylbenzamide
CID 95970601

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide (CID 1307408) is N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide is CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide?
The InChIKey is VFMMCTJENBSQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-9-20(24)22-16-10-7-8-11-17(16)23-21(25)15-12-13-18(26-5-2)19(14-15)27-6-3/h7-8,10-14H,4-6,9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide?
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 1307408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).