N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide

C18H30N2O — CID 59000989

IUPACN-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-5-20(6-2)13-7-12-19-18(21)17-10-8-16(9-11-17)14-15(3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,19,21)
InChIKeyWNZYVDFHTSCEIO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.35
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide

N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide (PubChem CID 59000989) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
PubChem CID59000989
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
SMILESCCN(CC)CCCNC(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-5-20(6-2)13-7-12-19-18(21)17-10-8-16(9-11-17)14-15(3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,19,21)
InChIKeyWNZYVDFHTSCEIO-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
CID 67991258
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[3-(diethylamino)propyl]-4-nitrobenzamide
CID 3278137
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
N-[3-(diethylamino)propyl]-4-methoxysulfanylbenzamide
CID 21151365
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide (CID 59000989) is N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide is CCN(CC)CCCNC(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide?
The InChIKey is WNZYVDFHTSCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-20(6-2)13-7-12-19-18(21)17-10-8-16(9-11-17)14-15(3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide?
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide has a molecular weight of 290.45 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 59000989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).