2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide

C14H23N3O — CID 54903541

IUPAC2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-16-14(18)12(2)17(10-9-15)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11,15H2,1-2H3,(H,16,18)
InChIKeySJEYMMOGUPDEAR-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.97
Rot. Bonds7

About 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide

2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide (PubChem CID 54903541) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
PubChem CID54903541
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CCN)Cc1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-16-14(18)12(2)17(10-9-15)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11,15H2,1-2H3,(H,16,18)
InChIKeySJEYMMOGUPDEAR-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
2-[2-aminoethyl(2-phenylethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 120872420
2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
CID 43383877
2-[benzyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)propanamide
CID 60685211
2-[3-aminopropyl(benzyl)amino]-N,N-diethylpropanamide
CID 107367320
2-[benzyl(2-hydroxyethyl)amino]-N-ethyl-2-methoxyacetamide
CID 67629600
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
CID 61015072
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
CID 106511569
ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
CID 43316028
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide (CID 54903541) is 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)N(CCN)Cc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide?
The InChIKey is SJEYMMOGUPDEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-16-14(18)12(2)17(10-9-15)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide?
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 54903541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).