N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide

C26H29N3O3 — CID 54821922

IUPACN-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
SMILESCC(C)CCOc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(2)15-16-32-24-13-11-21(12-14-24)27-18-25(30)28-22-9-6-10-23(17-22)29-26(31)20-7-4-3-5-8-20/h3-14,17,19,27H,15-16,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyMGNXXSKDWLYLNN-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.41
Rot. Bonds10

About N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide

N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide (PubChem CID 54821922) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
PubChem CID54821922
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
SMILESCC(C)CCOc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C26H29N3O3/c1-19(2)15-16-32-24-13-11-21(12-14-24)27-18-25(30)28-22-9-6-10-23(17-22)29-26(31)20-7-4-3-5-8-20/h3-14,17,19,27H,15-16,18H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyMGNXXSKDWLYLNN-UHFFFAOYSA-N
XLogP5.41
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.41
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

N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131
4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235614
N-[3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839241
N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54839290
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide (CID 54821922) is N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide is CC(C)CCOc1ccc(NCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide?
The InChIKey is MGNXXSKDWLYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19(2)15-16-32-24-13-11-21(12-14-24)27-18-25(30)28-22-9-6-10-23(17-22)29-26(31)20-7-4-3-5-8-20/h3-14,17,19,27H,15-16,18H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide?
N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide has a molecular weight of 431.54 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54821922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).