4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide

C17H28N2O — CID 19165344

IUPAC4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-19(7-2)13-12-18-16(20)14-8-10-15(11-9-14)17(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,18,20)
InChIKeyNFYXTDINQZFOON-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds6

About 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide

4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 19165344) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
PubChem CID19165344
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-6-19(7-2)13-12-18-16(20)14-8-10-15(11-9-14)17(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,18,20)
InChIKeyNFYXTDINQZFOON-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[2-(methylamino)ethyl]benzamide
CID 10564500
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide (CID 19165344) is 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is NFYXTDINQZFOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-19(7-2)13-12-18-16(20)14-8-10-15(11-9-14)17(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,18,20).
What are the key properties of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide?
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 276.42 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 19165344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).