3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide

C22H28N2O4 — CID 34556582

IUPAC3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-5-13-28-19-12-11-16(14-20(19)27-6-2)21(25)24-18-10-8-7-9-17(18)22(26)23-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyUSFFIOPVUGOXJV-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.26
Rot. Bonds9

About 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide

3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide (PubChem CID 34556582) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
PubChem CID34556582
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1OCC
InChIInChI=1S/C22H28N2O4/c1-5-13-28-19-12-11-16(14-20(19)27-6-2)21(25)24-18-10-8-7-9-17(18)22(26)23-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyUSFFIOPVUGOXJV-UHFFFAOYSA-N
XLogP4.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702
3-bromo-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17343109
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide (CID 34556582) is 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1OCC.
What is the InChIKey of 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide?
The InChIKey is USFFIOPVUGOXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-13-28-19-12-11-16(14-20(19)27-6-2)21(25)24-18-10-8-7-9-17(18)22(26)23-15(3)4/h7-12,14-15H,5-6,13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide?
3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 34556582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).