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

C12H18N2O — CID 62367065

IUPACN-(2-aminoethyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCCN
InChIInChI=1S/C12H18N2O/c1-10-4-2-3-5-11(10)6-7-12(15)14-9-8-13/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyOCCTYCUBELROCC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.00
Rot. Bonds5

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

N-(2-aminoethyl)-3-(2-methylphenyl)propanamide (PubChem CID 62367065) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-methylphenyl)propanamide
PubChem CID62367065
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(2-aminoethyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCCN
InChIInChI=1S/C12H18N2O/c1-10-4-2-3-5-11(10)6-7-12(15)14-9-8-13/h2-5H,6-9,13H2,1H3,(H,14,15)
InChIKeyOCCTYCUBELROCC-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685
N-[3-[(2-cyanoacetyl)amino]propyl]-3-(2-methylphenyl)propanamide
CID 108924383
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119643019
N-(4-aminobutyl)-2-(2-methylphenyl)acetamide
CID 60893782

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-methylphenyl)propanamide (CID 62367065) is N-(2-aminoethyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-(2-methylphenyl)propanamide?
The InChIKey is OCCTYCUBELROCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-4-2-3-5-11(10)6-7-12(15)14-9-8-13/h2-5H,6-9,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-3-(2-methylphenyl)propanamide?
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62367065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).