N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide

C17H26N2O — CID 104548197

IUPACN-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1CCNC)C(C)(C)C
InChIInChI=1S/C17H26N2O/c1-6-13-19(17(2,3)4)16(20)15-10-8-7-9-14(15)11-12-18-5/h6-10,18H,1,11-13H2,2-5H3
InChIKeyFAOBDZJOGZWQJT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.88
Rot. Bonds6

About N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide

N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide (PubChem CID 104548197) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
PubChem CID104548197
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1CCNC)C(C)(C)C
InChIInChI=1S/C17H26N2O/c1-6-13-19(17(2,3)4)16(20)15-10-8-7-9-14(15)11-12-18-5/h6-10,18H,1,11-13H2,2-5H3
InChIKeyFAOBDZJOGZWQJT-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one
CID 116613275
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
2-[2-(methylamino)ethyl]benzamide
CID 69094527
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
N-cyclopropyl-2-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 104547771
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
The IUPAC name of N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide (CID 104548197) is N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
The canonical SMILES for N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccccc1CCNC)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
The InChIKey is FAOBDZJOGZWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-13-19(17(2,3)4)16(20)15-10-8-7-9-14(15)11-12-18-5/h6-10,18H,1,11-13H2,2-5H3.
What are the key properties of N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide?
N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 104548197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).