N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide

C18H26N2O — CID 104548036

IUPACN-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C18H26N2O/c1-19-11-10-13-4-2-3-5-16(13)18(21)20-12-17(14-6-7-14)15-8-9-15/h2-5,14-15,17,19H,6-12H2,1H3,(H,20,21)
InChIKeyBCKYYZUTACEXEP-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.61
Rot. Bonds8

About N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide

N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104548036) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID104548036
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C18H26N2O/c1-19-11-10-13-4-2-3-5-16(13)18(21)20-12-17(14-6-7-14)15-8-9-15/h2-5,14-15,17,19H,6-12H2,1H3,(H,20,21)
InChIKeyBCKYYZUTACEXEP-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104548206
N-(cyclohexylmethyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547420
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
N-(2-cyanoethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425664
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
N-[(4-hydroxyphenyl)methyl]-2-[2-(methylamino)ethyl]benzamide
CID 114332137
N-[2-(methanesulfonamido)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547460

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide (CID 104548036) is N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)NCC(C1CC1)C1CC1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is BCKYYZUTACEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-11-10-13-4-2-3-5-16(13)18(21)20-12-17(14-6-7-14)15-8-9-15/h2-5,14-15,17,19H,6-12H2,1H3,(H,20,21).
What are the key properties of N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide?
N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 286.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104548036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).