N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide

C17H27N3O2 — CID 54813570

IUPACN-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CN(CC)CC)cc1
InChIInChI=1S/C17H27N3O2/c1-4-7-12-18-17(22)14-8-10-15(11-9-14)19-16(21)13-20(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyWZNFBTDZZSYAIN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.50
Rot. Bonds9

About N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide

N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide (PubChem CID 54813570) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
PubChem CID54813570
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CN(CC)CC)cc1
InChIInChI=1S/C17H27N3O2/c1-4-7-12-18-17(22)14-8-10-15(11-9-14)19-16(21)13-20(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyWZNFBTDZZSYAIN-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.50
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

4-[[2-(diethylamino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54813755
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817609
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide (CID 54813570) is N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide is CCCCNC(=O)c1ccc(NC(=O)CN(CC)CC)cc1.
What is the InChIKey of N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
The InChIKey is WZNFBTDZZSYAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-7-12-18-17(22)14-8-10-15(11-9-14)19-16(21)13-20(5-2)6-3/h8-11H,4-7,12-13H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide?
N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54813570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).