N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide

C21H27N3O2 — CID 162862869

IUPACN-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
SMILESNCCCN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c22-14-9-17-24(21(26)19-12-5-2-6-13-19)16-8-7-15-23-20(25)18-10-3-1-4-11-18/h1-6,10-13H,7-9,14-17,22H2,(H,23,25)
InChIKeyPOBUQFSWSYYCOJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.69
Rot. Bonds10

About N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide

N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide (PubChem CID 162862869) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
PubChem CID162862869
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
SMILESNCCCN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C21H27N3O2/c22-14-9-17-24(21(26)19-12-5-2-6-13-19)16-8-7-15-23-20(25)18-10-3-1-4-11-18/h1-6,10-13H,7-9,14-17,22H2,(H,23,25)
InChIKeyPOBUQFSWSYYCOJ-UHFFFAOYSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(6-aminohexyl)benzamide
CID 68737596
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
[4-[[3-aminopropyl(benzoyl)amino]methyl]phenyl]methylphosphonic acid
CID 23877767
N-[5-(diaminomethylideneamino)pentyl]benzamide
CID 21298945
3,4,5-trihydroxy-N-[4-[(3,4,5-trihydroxybenzoyl)-[3-[(3,4,5-trihydroxybenzoyl)amino]propyl]amino]butyl]benzamide
CID 118731888
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
3-[3-[3-aminopropyl(methyl)amino]propylcarbamoyl]benzoic acid
CID 70661699
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 120648959

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide?
The IUPAC name of N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide (CID 162862869) is N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide.
What is the SMILES notation for N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide?
The canonical SMILES for N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide is NCCCN(CCCCNC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide?
The InChIKey is POBUQFSWSYYCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-14-9-17-24(21(26)19-12-5-2-6-13-19)16-8-7-15-23-20(25)18-10-3-1-4-11-18/h1-6,10-13H,7-9,14-17,22H2,(H,23,25).
What are the key properties of N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide?
N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide is sourced from PubChem (CID 162862869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).