2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide

C20H25N3O3 — CID 78819123

IUPAC2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25N3O3/c1-4-21-20(25)22-19(24)15(2)23(14-16-8-6-5-7-9-16)17-10-12-18(26-3)13-11-17/h5-13,15H,4,14H2,1-3H3,(H2,21,22,24,25)
InChIKeyAZVRZPNXHDWJDW-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.94
Rot. Bonds7

About 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide

2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 78819123) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID78819123
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)N(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25N3O3/c1-4-21-20(25)22-19(24)15(2)23(14-16-8-6-5-7-9-16)17-10-12-18(26-3)13-11-17/h5-13,15H,4,14H2,1-3H3,(H2,21,22,24,25)
InChIKeyAZVRZPNXHDWJDW-UHFFFAOYSA-N
XLogP2.94
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
(2R,3S)-N-benzyl-3-(N-benzyl-4-methoxyanilino)-2-hydroxy-3-phenylpropanamide
CID 102091035
methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 94819168
N-benzyl-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132944113
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7862107
methyl (2S)-2-(N-benzyl-4-phenoxyanilino)butanoate
CID 169324705
2-[3-benzylsulfanylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 132664634
2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 120872420
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-ethylbutanamide
CID 132657878
2-[benzyl-[2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]-N-ethylpropanamide
CID 132683564
N-(ethylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 46614554

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide (CID 78819123) is 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)N(Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is AZVRZPNXHDWJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-21-20(25)22-19(24)15(2)23(14-16-8-6-5-7-9-16)17-10-12-18(26-3)13-11-17/h5-13,15H,4,14H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide?
2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-4-methoxyanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 78819123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).