N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C27H30N4O3 — CID 54844536

IUPACN-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-3-16-28-26(33)21-12-14-23(15-13-21)31-25(32)19-29-24-11-7-10-22(17-24)27(34)30-18-20-8-5-4-6-9-20/h4-15,17,29H,2-3,16,18-19H2,1H3,(H,28,33)(H,30,34)(H,31,32)
InChIKeyHZNGCODAVIKRAJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.20
Rot. Bonds11

About N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54844536) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54844536
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C27H30N4O3/c1-2-3-16-28-26(33)21-12-14-23(15-13-21)31-25(32)19-29-24-11-7-10-22(17-24)27(34)30-18-20-8-5-4-6-9-20/h4-15,17,29H,2-3,16,18-19H2,1H3,(H,28,33)(H,30,34)(H,31,32)
InChIKeyHZNGCODAVIKRAJ-UHFFFAOYSA-N
XLogP4.20
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
N-butyl-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837288
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54844536) is N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is HZNGCODAVIKRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-2-3-16-28-26(33)21-12-14-23(15-13-21)31-25(32)19-29-24-11-7-10-22(17-24)27(34)30-18-20-8-5-4-6-9-20/h4-15,17,29H,2-3,16,18-19H2,1H3,(H,28,33)(H,30,34)(H,31,32).
What are the key properties of N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.20, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).