2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide

C18H22N2O2 — CID 78822615

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CCO)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-15-6-5-9-17(12-15)19-18(22)14-20(10-11-21)13-16-7-3-2-4-8-16/h2-9,12,21H,10-11,13-14H2,1H3,(H,19,22)
InChIKeyXOMTYRVJDYHJPN-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.43
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide

2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 78822615) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
PubChem CID78822615
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CCO)Cc2ccccc2)c1
InChIInChI=1S/C18H22N2O2/c1-15-6-5-9-17(12-15)19-18(22)14-20(10-11-21)13-16-7-3-2-4-8-16/h2-9,12,21H,10-11,13-14H2,1H3,(H,19,22)
InChIKeyXOMTYRVJDYHJPN-UHFFFAOYSA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 86942994
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 62115298
2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 110881066
1-benzyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)thiourea
CID 7942645
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
2-[ethyl(2-hydroxyethyl)amino]-N-(3-phenoxyphenyl)acetamide
CID 110881180
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
CID 62114945
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide (CID 78822615) is 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(CCO)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is XOMTYRVJDYHJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15-6-5-9-17(12-15)19-18(22)14-20(10-11-21)13-16-7-3-2-4-8-16/h2-9,12,21H,10-11,13-14H2,1H3,(H,19,22).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide?
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 78822615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).