N-[5-(diethylamino)pentyl]-4-methylbenzamide

C17H28N2O — CID 110440389

IUPACN-[5-(diethylamino)pentyl]-4-methylbenzamide
SMILESCCN(CC)CCCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H28N2O/c1-4-19(5-2)14-8-6-7-13-18-17(20)16-11-9-15(3)10-12-16/h9-12H,4-8,13-14H2,1-3H3,(H,18,20)
InChIKeyZZMKGUBIQTYCBO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.24
Rot. Bonds9

About N-[5-(diethylamino)pentyl]-4-methylbenzamide

N-[5-(diethylamino)pentyl]-4-methylbenzamide (PubChem CID 110440389) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[5-(diethylamino)pentyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentyl]-4-methylbenzamide
PubChem CID110440389
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[5-(diethylamino)pentyl]-4-methylbenzamide
SMILESCCN(CC)CCCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C17H28N2O/c1-4-19(5-2)14-8-6-7-13-18-17(20)16-11-9-15(3)10-12-16/h9-12H,4-8,13-14H2,1-3H3,(H,18,20)
InChIKeyZZMKGUBIQTYCBO-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
N-[3-[octyl(pentyl)amino]propyl]-4-[4-[3-[octyl(pentyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139956044
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686
N-[3-[heptyl(octyl)amino]propyl]-4-[4-[3-[heptyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139954884
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
N-[3-[butyl(octyl)amino]propyl]-4-[4-[3-[butyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955599
N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
CID 21151365

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentyl]-4-methylbenzamide?
The IUPAC name of N-[5-(diethylamino)pentyl]-4-methylbenzamide (CID 110440389) is N-[5-(diethylamino)pentyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(diethylamino)pentyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(diethylamino)pentyl]-4-methylbenzamide is CCN(CC)CCCCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-(diethylamino)pentyl]-4-methylbenzamide?
The InChIKey is ZZMKGUBIQTYCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(5-2)14-8-6-7-13-18-17(20)16-11-9-15(3)10-12-16/h9-12H,4-8,13-14H2,1-3H3,(H,18,20).
What are the key properties of N-[5-(diethylamino)pentyl]-4-methylbenzamide?
N-[5-(diethylamino)pentyl]-4-methylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentyl]-4-methylbenzamide is sourced from PubChem (CID 110440389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).