4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide

C16H26N2O — CID 4156706

IUPAC4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-9-7-13(8-10-14)15(19)17-11-6-12-18(4)5/h7-10H,6,11-12H2,1-5H3,(H,17,19)
InChIKeyMIVRIXCZFANEAY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds5

About 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide

4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide (PubChem CID 4156706) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
PubChem CID4156706
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-16(2,3)14-9-7-13(8-10-14)15(19)17-11-6-12-18(4)5/h7-10H,6,11-12H2,1-5H3,(H,17,19)
InChIKeyMIVRIXCZFANEAY-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.67
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

4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
4-tert-butyl-N-nonylbenzamide
CID 4642451
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
CID 19578403

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide (CID 4156706) is 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide is CN(C)CCCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide?
The InChIKey is MIVRIXCZFANEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)14-9-7-13(8-10-14)15(19)17-11-6-12-18(4)5/h7-10H,6,11-12H2,1-5H3,(H,17,19).
What are the key properties of 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide?
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide has a molecular weight of 262.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 4156706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).