3-amino-N-benzyl-N-propanoylpropanamide

C13H18N2O2 — CID 155456873

IUPAC3-amino-N-benzyl-N-propanoylpropanamide
SMILESCCC(=O)N(Cc1ccccc1)C(=O)CCN
InChIInChI=1S/C13H18N2O2/c1-2-12(16)15(13(17)8-9-14)10-11-6-4-3-5-7-11/h3-7H,2,8-10,14H2,1H3
InChIKeyZNGRFBHSUXDGQP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds5

About 3-amino-N-benzyl-N-propanoylpropanamide

3-amino-N-benzyl-N-propanoylpropanamide (PubChem CID 155456873) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-propanoylpropanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-propanoylpropanamide
PubChem CID155456873
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-benzyl-N-propanoylpropanamide
SMILESCCC(=O)N(Cc1ccccc1)C(=O)CCN
InChIInChI=1S/C13H18N2O2/c1-2-12(16)15(13(17)8-9-14)10-11-6-4-3-5-7-11/h3-7H,2,8-10,14H2,1H3
InChIKeyZNGRFBHSUXDGQP-UHFFFAOYSA-N
XLogP1.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[benzyl(propanoyl)amino]-2-oxoethyl]-(trifluoromethyl)phosphinic acid
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N-benzyl-N-ethenylpropanamide
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N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
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1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
2-amino-N,N-dibenzylacetamide
CID 11107897
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
N-benzyl-N-(2-chloroethyl)propanamide
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CID 12502571

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-propanoylpropanamide?
The IUPAC name of 3-amino-N-benzyl-N-propanoylpropanamide (CID 155456873) is 3-amino-N-benzyl-N-propanoylpropanamide.
What is the SMILES notation for 3-amino-N-benzyl-N-propanoylpropanamide?
The canonical SMILES for 3-amino-N-benzyl-N-propanoylpropanamide is CCC(=O)N(Cc1ccccc1)C(=O)CCN.
What is the InChIKey of 3-amino-N-benzyl-N-propanoylpropanamide?
The InChIKey is ZNGRFBHSUXDGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-12(16)15(13(17)8-9-14)10-11-6-4-3-5-7-11/h3-7H,2,8-10,14H2,1H3.
What are the key properties of 3-amino-N-benzyl-N-propanoylpropanamide?
3-amino-N-benzyl-N-propanoylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-propanoylpropanamide is sourced from PubChem (CID 155456873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).