N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide

C20H25N3O3 — CID 54822614

IUPACN-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-4-19(24)22-16-5-7-17(8-6-16)23-20(25)13-21-15-9-11-18(12-10-15)26-14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVDLLVCFHWKWECO-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.87
Rot. Bonds8

About N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide

N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54822614) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54822614
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-4-19(24)22-16-5-7-17(8-6-16)23-20(25)13-21-15-9-11-18(12-10-15)26-14(2)3/h5-12,14,21H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyVDLLVCFHWKWECO-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109008014
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide (CID 54822614) is N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is VDLLVCFHWKWECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-19(24)22-16-5-7-17(8-6-16)23-20(25)13-21-15-9-11-18(12-10-15)26-14(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-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide?
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54822614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).