N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide

C17H20N2O — CID 28768817

IUPACN-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
SMILESCc1cccc(N(CCN)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-14-6-5-9-16(12-14)19(11-10-18)17(20)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13,18H2,1H3
InChIKeyAMXUXCCCWBRQIU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.53
Rot. Bonds5

About N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide

N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide (PubChem CID 28768817) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
PubChem CID28768817
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
SMILESCc1cccc(N(CCN)C(=O)Cc2ccccc2)c1
InChIInChI=1S/C17H20N2O/c1-14-6-5-9-16(12-14)19(11-10-18)17(20)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13,18H2,1H3
InChIKeyAMXUXCCCWBRQIU-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-(2-hydroxyethyl)-N-(3-methylphenyl)benzamide
CID 91297666
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
(N-carbamoyl-3-methylanilino) 2-phenylacetate
CID 57122340
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide?
The IUPAC name of N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide (CID 28768817) is N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide?
The canonical SMILES for N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide is Cc1cccc(N(CCN)C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide?
The InChIKey is AMXUXCCCWBRQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14-6-5-9-16(12-14)19(11-10-18)17(20)13-15-7-3-2-4-8-15/h2-9,12H,10-11,13,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide?
N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide has a molecular weight of 268.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 28768817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).