4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide

C16H18N2O2 — CID 82023811

IUPAC4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C16H18N2O2/c1-11(17)12-7-9-13(10-8-12)16(19)18-14-5-3-4-6-15(14)20-2/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyKJPFAFLOPVFKEG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.97
Rot. Bonds4

About 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide

4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 82023811) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
PubChem CID82023811
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C16H18N2O2/c1-11(17)12-7-9-13(10-8-12)16(19)18-14-5-3-4-6-15(14)20-2/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyKJPFAFLOPVFKEG-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
CID 43822918
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
N-(2-methoxyphenyl)-4-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
CID 8898758
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79737436

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide (CID 82023811) is 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is KJPFAFLOPVFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(17)12-7-9-13(10-8-12)16(19)18-14-5-3-4-6-15(14)20-2/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide?
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 82023811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).