N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide

C20H22N2O3 — CID 2993732

IUPACN-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2NC(=O)CCC)cc1
InChIInChI=1S/C20H22N2O3/c1-3-7-19(23)21-17-8-5-6-9-18(17)22-20(24)15-10-12-16(13-11-15)25-14-4-2/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyNYCWFQAIFXCEJW-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide

N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide (PubChem CID 2993732) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide
PubChem CID2993732
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2NC(=O)CCC)cc1
InChIInChI=1S/C20H22N2O3/c1-3-7-19(23)21-17-8-5-6-9-18(17)22-20(24)15-10-12-16(13-11-15)25-14-4-2/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyNYCWFQAIFXCEJW-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(butanoylamino)phenyl]-4-phenylmethoxybenzamide
CID 2996611
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 9172934
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408
N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide (CID 2993732) is N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccccc2NC(=O)CCC)cc1.
What is the InChIKey of N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide?
The InChIKey is NYCWFQAIFXCEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-7-19(23)21-17-8-5-6-9-18(17)22-20(24)15-10-12-16(13-11-15)25-14-4-2/h4-6,8-13H,2-3,7,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide?
N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide has a molecular weight of 338.41 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 2993732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).