2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide

C22H26N2O3 — CID 4981734

IUPAC2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-4-13-23-22(26)19-10-5-6-11-20(19)24-21(25)17-8-7-9-18(15-17)27-14-12-16(2)3/h4-11,15-16H,1,12-14H2,2-3H3,(H,23,26)(H,24,25)
InChIKeyXGZHGFUHIIPYOJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.28
Rot. Bonds9

About 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide

2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 4981734) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide
PubChem CID4981734
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(OCCC(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-4-13-23-22(26)19-10-5-6-11-20(19)24-21(25)17-8-7-9-18(15-17)27-14-12-16(2)3/h4-11,15-16H,1,12-14H2,2-3H3,(H,23,26)(H,24,25)
InChIKeyXGZHGFUHIIPYOJ-UHFFFAOYSA-N
XLogP4.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.28
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

2-[[3-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4981659
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 17353533
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-(3-methylbutoxy)-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098310
2-bromo-N'-[3-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4981868

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide (CID 4981734) is 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1cccc(OCCC(C)C)c1.
What is the InChIKey of 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is XGZHGFUHIIPYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-13-23-22(26)19-10-5-6-11-20(19)24-21(25)17-8-7-9-18(15-17)27-14-12-16(2)3/h4-11,15-16H,1,12-14H2,2-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 4981734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).