N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide

C24H32N4O3 — CID 54845795

IUPACN-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-4-5-16-25-24(31)19-9-13-21(14-10-19)27-22(29)17-26-20-11-6-18(7-12-20)8-15-23(30)28(2)3/h6-7,9-14,26H,4-5,8,15-17H2,1-3H3,(H,25,31)(H,27,29)
InChIKeyGYEZNVIEULBVBC-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.29
Rot. Bonds11

About N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide

N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide (PubChem CID 54845795) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide
PubChem CID54845795
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-4-5-16-25-24(31)19-9-13-21(14-10-19)27-22(29)17-26-20-11-6-18(7-12-20)8-15-23(30)28(2)3/h6-7,9-14,26H,4-5,8,15-17H2,1-3H3,(H,25,31)(H,27,29)
InChIKeyGYEZNVIEULBVBC-UHFFFAOYSA-N
XLogP3.29
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-butylbenzamide
CID 54811232
N-butyl-4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54838526
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
3-[4-[[2-(ethylamino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845823
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide (CID 54845795) is N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CNc2ccc(CCC(=O)N(C)C)cc2)cc1.
What is the InChIKey of N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide?
The InChIKey is GYEZNVIEULBVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-5-16-25-24(31)19-9-13-21(14-10-19)27-22(29)17-26-20-11-6-18(7-12-20)8-15-23(30)28(2)3/h6-7,9-14,26H,4-5,8,15-17H2,1-3H3,(H,25,31)(H,27,29).
What are the key properties of N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide?
N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54845795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).