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

C15H24N2O — CID 62367401

IUPACN-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
SMILESCCCN(CCN)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-3-10-17(11-9-16)15(18)8-7-14-6-4-5-13(2)12-14/h4-6,12H,3,7-11,16H2,1-2H3
InChIKeyJTUKUCCHJZWOJE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds7

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

N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide (PubChem CID 62367401) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
PubChem CID62367401
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
SMILESCCCN(CCN)C(=O)CCc1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-3-10-17(11-9-16)15(18)8-7-14-6-4-5-13(2)12-14/h4-6,12H,3,7-11,16H2,1-2H3
InChIKeyJTUKUCCHJZWOJE-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
ethyl 2-[3-(3-methylphenyl)propanoyl-propylamino]acetate
CID 61073689
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071
3-[(3-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019631
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
N-(2-aminoethyl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 62505147
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391
N-(3-amino-3-sulfanylidenepropyl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 62367429
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070952

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide (CID 62367401) is N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide is CCCN(CCN)C(=O)CCc1cccc(C)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide?
The InChIKey is JTUKUCCHJZWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-10-17(11-9-16)15(18)8-7-14-6-4-5-13(2)12-14/h4-6,12H,3,7-11,16H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide?
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide has a molecular weight of 248.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide is sourced from PubChem (CID 62367401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).