3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide

C18H22N2O — CID 62592259

IUPAC3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(CCN)c1
InChIInChI=1S/C18H22N2O/c1-13(2)16-8-3-4-9-17(16)20-18(21)15-7-5-6-14(12-15)10-11-19/h3-9,12-13H,10-11,19H2,1-2H3,(H,20,21)
InChIKeyHQJDMDMMQKIHFS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds5

About 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide

3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 62592259) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID62592259
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(CCN)c1
InChIInChI=1S/C18H22N2O/c1-13(2)16-8-3-4-9-17(16)20-18(21)15-7-5-6-14(12-15)10-11-19/h3-9,12-13H,10-11,19H2,1-2H3,(H,20,21)
InChIKeyHQJDMDMMQKIHFS-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-2-sulfanylideneethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 94806379
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide (CID 62592259) is 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is HQJDMDMMQKIHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(2)16-8-3-4-9-17(16)20-18(21)15-7-5-6-14(12-15)10-11-19/h3-9,12-13H,10-11,19H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide?
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 62592259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).