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

C16H26N2O — CID 110761239

IUPACN-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)12-14-6-8-15(9-7-14)16(19)17-10-5-11-18(3)4/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyKAJTYIWTUAIUNT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.57
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide (PubChem CID 110761239) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
PubChem CID110761239
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)NCCCN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)12-14-6-8-15(9-7-14)16(19)17-10-5-11-18(3)4/h6-9,13H,5,10-12H2,1-4H3,(H,17,19)
InChIKeyKAJTYIWTUAIUNT-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.57
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

N-(3-hydroxypropyl)-4-(2-methylpropyl)benzamide
CID 98014815
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-(2-methylpropyl)-N-[6-(propanoylamino)hexyl]benzamide
CID 67991258
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide (CID 110761239) is N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide is CC(C)Cc1ccc(C(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide?
The InChIKey is KAJTYIWTUAIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)12-14-6-8-15(9-7-14)16(19)17-10-5-11-18(3)4/h6-9,13H,5,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide?
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide has a molecular weight of 262.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 110761239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).