N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide

C14H21N3O2 — CID 108899771

IUPACN-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)NCCc1ccccc1C
InChIInChI=1S/C14H21N3O2/c1-11-5-3-4-6-13(11)7-9-16-14(19)17(10-8-15)12(2)18/h3-6H,7-10,15H2,1-2H3,(H,16,19)
InChIKeyVWHGVSXEYKYPOR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.05
Rot. Bonds5

About N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide

N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide (PubChem CID 108899771) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide
PubChem CID108899771
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)NCCc1ccccc1C
InChIInChI=1S/C14H21N3O2/c1-11-5-3-4-6-13(11)7-9-16-14(19)17(10-8-15)12(2)18/h3-6H,7-10,15H2,1-2H3,(H,16,19)
InChIKeyVWHGVSXEYKYPOR-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-[2-(2-methoxyphenyl)ethylcarbamoyl]acetamide
CID 108899927
N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
CID 108899749
ethyl N-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethylcarbamoyl]carbamate
CID 108900177
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 106113152
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 43575591

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide (CID 108899771) is N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide is CC(=O)N(CCN)C(=O)NCCc1ccccc1C.
What is the InChIKey of N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide?
The InChIKey is VWHGVSXEYKYPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-3-4-6-13(11)7-9-16-14(19)17(10-8-15)12(2)18/h3-6H,7-10,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide?
N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 108899771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).