2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide

C20H22N2O4 — CID 17353533

IUPAC2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-12-21-20(24)17-6-4-5-7-18(17)22-19(23)15-8-10-16(11-9-15)26-14-13-25-2/h3-11H,1,12-14H2,2H3,(H,21,24)(H,22,23)
InChIKeyJIPSXTBHSHQHST-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds9

About 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide

2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 17353533) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
PubChem CID17353533
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-12-21-20(24)17-6-4-5-7-18(17)22-19(23)15-8-10-16(11-9-15)26-14-13-25-2/h3-11H,1,12-14H2,2H3,(H,21,24)(H,22,23)
InChIKeyJIPSXTBHSHQHST-UHFFFAOYSA-N
XLogP2.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 4981734
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
2-[[4-[(carbamoylamino)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34746020
2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706709
N-[4-(2-methoxyethoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17340476

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide (CID 17353533) is 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is JIPSXTBHSHQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-12-21-20(24)17-6-4-5-7-18(17)22-19(23)15-8-10-16(11-9-15)26-14-13-25-2/h3-11H,1,12-14H2,2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide?
2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxy)benzoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 17353533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).