N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide

C20H25N3O3 — CID 54817227

IUPACN-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCCOc1ccccc1NCC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-4-26-18-11-6-5-10-17(18)21-13-19(24)22-15-8-7-9-16(12-15)23-20(25)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJGLXSXAQPHTMBJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.73
Rot. Bonds8

About N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54817227) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID54817227
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCCOc1ccccc1NCC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-4-26-18-11-6-5-10-17(18)21-13-19(24)22-15-8-7-9-16(12-15)23-20(25)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJGLXSXAQPHTMBJ-UHFFFAOYSA-N
XLogP3.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817318
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
2-methyl-N-[3-[[2-[2-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54831517
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
N-[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810373
N-[4-[[2-[2-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-2-methylpropanamide
CID 54827316
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
N-(2,6-diethylphenyl)-2-(2-ethoxyanilino)acetamide
CID 8965705
3-[[2-(2-ethoxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29458921
N-(3-ethoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823260
3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide (CID 54817227) is N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide is CCOc1ccccc1NCC(=O)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is JGLXSXAQPHTMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-26-18-11-6-5-10-17(18)21-13-19(24)22-15-8-7-9-16(12-15)23-20(25)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54817227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).