N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide

C23H29N3O3 — CID 46046893

IUPACN-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
SMILESC=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCCOC)cc1
InChIInChI=1S/C23H29N3O3/c1-4-12-25-23(28)26(17-20-7-5-6-18(2)15-20)21-10-8-19(9-11-21)16-22(27)24-13-14-29-3/h4-11,15H,1,12-14,16-17H2,2-3H3,(H,24,27)(H,25,28)
InChIKeyNHWWQYVYZDHZST-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.20
Rot. Bonds10

About N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide

N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide (PubChem CID 46046893) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
PubChem CID46046893
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
SMILESC=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCCOC)cc1
InChIInChI=1S/C23H29N3O3/c1-4-12-25-23(28)26(17-20-7-5-6-18(2)15-20)21-10-8-19(9-11-21)16-22(27)24-13-14-29-3/h4-11,15H,1,12-14,16-17H2,2-3H3,(H,24,27)(H,25,28)
InChIKeyNHWWQYVYZDHZST-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 42852963
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
CID 46046597
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046591
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 82994349
N-(2-methoxyethyl)-2-[(3-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150637
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46056385

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide (CID 46046893) is N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide is C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCCOC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
The InChIKey is NHWWQYVYZDHZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-12-25-23(28)26(17-20-7-5-6-18(2)15-20)21-10-8-19(9-11-21)16-22(27)24-13-14-29-3/h4-11,15H,1,12-14,16-17H2,2-3H3,(H,24,27)(H,25,28).
What are the key properties of N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide?
N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide is sourced from PubChem (CID 46046893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).