N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide

C20H25N3O3 — CID 54817342

IUPACN-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)12-19(24)22-15-8-10-16(11-9-15)23-20(25)13-21-17-6-4-5-7-18(17)26-3/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJUWAZNXDJLONH-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.73
Rot. Bonds8

About N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide

N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide (PubChem CID 54817342) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
PubChem CID54817342
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)12-19(24)22-15-8-10-16(11-9-15)23-20(25)13-21-17-6-4-5-7-18(17)26-3/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJUWAZNXDJLONH-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-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
2-(2-methoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54817190
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
N-[3-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817318
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide (CID 54817342) is N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide is COc1ccccc1NCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is AJUWAZNXDJLONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)12-19(24)22-15-8-10-16(11-9-15)23-20(25)13-21-17-6-4-5-7-18(17)26-3/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[2-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide 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-(2-methoxyanilino)acetyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 54817342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).