N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

C20H25N3O3 — CID 54830764

IUPACN-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCOc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-4-26-18-7-5-6-17(12-18)22-19(24)13-21-15-8-10-16(11-9-15)23-20(25)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHTEAGIKNYQFBSV-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.73
Rot. Bonds8

About N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54830764) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
PubChem CID54830764
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCOc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-4-26-18-7-5-6-17(12-18)22-19(24)13-21-15-8-10-16(11-9-15)23-20(25)14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHTEAGIKNYQFBSV-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

2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (CID 54830764) is N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is CCOc1cccc(NC(=O)CNc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is HTEAGIKNYQFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-26-18-7-5-6-17(12-18)22-19(24)13-21-15-8-10-16(11-9-15)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-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]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-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54830764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).