2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

C17H26N2O — CID 79362936

IUPAC2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccccc2CCN)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)11-19-15(20)13-8-6-5-7-12(13)9-10-18/h5-8,14H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyZYLPDNMYJJYZDI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds5

About 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 79362936) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID79362936
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2ccccc2CCN)C1(C)C
InChIInChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)11-19-15(20)13-8-6-5-7-12(13)9-10-18/h5-8,14H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyZYLPDNMYJJYZDI-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 83109235
2-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79357733
2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
CID 107599647
2-(2-aminoethyl)-N-(2,6-dichlorophenyl)benzamide
CID 65467630
2-(2-aminoethyl)-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 81131152
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
1-[[[2-(2-aminoethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445899
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 79362936) is 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is CC1(C)C(CNC(=O)c2ccccc2CCN)C1(C)C.
What is the InChIKey of 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is ZYLPDNMYJJYZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-16(2)14(17(16,3)4)11-19-15(20)13-8-6-5-7-12(13)9-10-18/h5-8,14H,9-11,18H2,1-4H3,(H,19,20).
What are the key properties of 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 79362936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).