3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide

C14H21N3O2 — CID 62878003

IUPAC3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
SMILESCN(C)C(=O)CCNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-17(2)13(18)8-9-16-14(19)12(10-15)11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,19)
InChIKeyHAFWEXRGNCHJNV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.32
Rot. Bonds6

About 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide

3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide (PubChem CID 62878003) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
PubChem CID62878003
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide
SMILESCN(C)C(=O)CCNC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-17(2)13(18)8-9-16-14(19)12(10-15)11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,19)
InChIKeyHAFWEXRGNCHJNV-UHFFFAOYSA-N
XLogP0.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54506547
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CID 94888711
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
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3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
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3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide (CID 62878003) is 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide is CN(C)C(=O)CCNC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide?
The InChIKey is HAFWEXRGNCHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)13(18)8-9-16-14(19)12(10-15)11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide?
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-phenylpropanamide is sourced from PubChem (CID 62878003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).