3-(2-aminoethyl)-N-benzylbenzamide

C16H18N2O — CID 62591363

IUPAC3-(2-aminoethyl)-N-benzylbenzamide
SMILESNCCc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c17-10-9-13-7-4-8-15(11-13)16(19)18-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12,17H2,(H,18,19)
InChIKeyXESNQJYRJXLZQB-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.12
Rot. Bonds5

About 3-(2-aminoethyl)-N-benzylbenzamide

3-(2-aminoethyl)-N-benzylbenzamide (PubChem CID 62591363) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-benzylbenzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-benzylbenzamide
PubChem CID62591363
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(2-aminoethyl)-N-benzylbenzamide
SMILESNCCc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c17-10-9-13-7-4-8-15(11-13)16(19)18-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12,17H2,(H,18,19)
InChIKeyXESNQJYRJXLZQB-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 62594019
3-(2-aminoethyl)-N-[[4-(3-bromopropoxy)phenyl]methyl]benzamide
CID 69047071
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
CID 113487169
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
3-(2-aminoethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 107863937
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954387
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
1,3-bis[[3-(2-aminoethyl)phenyl]methyl]urea
CID 159960728

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-benzylbenzamide?
The IUPAC name of 3-(2-aminoethyl)-N-benzylbenzamide (CID 62591363) is 3-(2-aminoethyl)-N-benzylbenzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-benzylbenzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-benzylbenzamide is NCCc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-benzylbenzamide?
The InChIKey is XESNQJYRJXLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-10-9-13-7-4-8-15(11-13)16(19)18-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12,17H2,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-N-benzylbenzamide?
3-(2-aminoethyl)-N-benzylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.12, 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-benzylbenzamide is sourced from PubChem (CID 62591363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).