N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide

C20H24N4O2 — CID 4526974

IUPACN-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCC)c1
InChIInChI=1S/C20H24N4O2/c1-3-8-19(25)21-16-12-13-17(18(14-16)22-20(26)9-4-2)24-23-15-10-6-5-7-11-15/h5-7,10-14H,3-4,8-9H2,1-2H3,(H,21,25)(H,22,26)/b24-23+
InChIKeyWNIIFLCKJIDZJS-WCWDXBQESA-N
MW352.44 g/mol
LogP5.58
Rot. Bonds8

About N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide

N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide (PubChem CID 4526974) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
PubChem CID4526974
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCC)c1
InChIInChI=1S/C20H24N4O2/c1-3-8-19(25)21-16-12-13-17(18(14-16)22-20(26)9-4-2)24-23-15-10-6-5-7-11-15/h5-7,10-14H,3-4,8-9H2,1-2H3,(H,21,25)(H,22,26)/b24-23+
InChIKeyWNIIFLCKJIDZJS-WCWDXBQESA-N
XLogP5.58
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(octadecanoylamino)-4-phenyldiazenylphenyl]octadecanamide
CID 71404813
N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
CID 5050785
N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
CID 3615638
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-phenyldiazenylphenyl]benzamide
CID 4259733
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide
CID 102443024
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
[2-[4-[[4-(butanoylamino)phenyl]diazenyl]anilino]-2-oxoethyl]-triethylazanium
CID 44604482
N-phenazin-2-ylbutanamide
CID 73349412
(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 6269441
(E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 6282998

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide?
The IUPAC name of N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide (CID 4526974) is N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide.
What is the SMILES notation for N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide?
The canonical SMILES for N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide is CCCC(=O)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)CCC)c1.
What is the InChIKey of N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide?
The InChIKey is WNIIFLCKJIDZJS-WCWDXBQESA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-8-19(25)21-16-12-13-17(18(14-16)22-20(26)9-4-2)24-23-15-10-6-5-7-11-15/h5-7,10-14H,3-4,8-9H2,1-2H3,(H,21,25)(H,22,26)/b24-23+.
What are the key properties of N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide?
N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide has a molecular weight of 352.44 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)-4-phenyldiazenylphenyl]butanamide is sourced from PubChem (CID 4526974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).