3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide

C12H17N3O2 — CID 119275160

IUPAC3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
SMILESNCCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-8-6-12(17)15(9-7-11(14)16)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H2,14,16)
InChIKeyVCAMKWAXXAVMMM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.24
Rot. Bonds6

About 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide

3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide (PubChem CID 119275160) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
PubChem CID119275160
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
SMILESNCCC(=O)N(CCC(N)=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-8-6-12(17)15(9-7-11(14)16)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H2,14,16)
InChIKeyVCAMKWAXXAVMMM-UHFFFAOYSA-N
XLogP0.24
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-amino-3-oxopropyl)-N-phenylbutanamide;hydrochloride
CID 119275169
7-amino-N-(3-amino-3-oxopropyl)-N-phenylheptanamide
CID 119696693
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
3-(N-[2-(1-hydroxycyclohexyl)acetyl]anilino)propanamide
CID 111537760
3-(N-[2-(2-chlorophenyl)sulfanylacetyl]anilino)propanamide
CID 27312033
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
CID 24526690
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
CID 51263825
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 37325499
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 37324858
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-phenylpropanamide
CID 62590595
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide (CID 119275160) is 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide is NCCC(=O)N(CCC(N)=O)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide?
The InChIKey is VCAMKWAXXAVMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-8-6-12(17)15(9-7-11(14)16)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H2,14,16).
What are the key properties of 3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide?
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide has a molecular weight of 235.29 g/mol, XLogP of 0.24, 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-amino-3-oxopropyl)-N-phenylpropanamide is sourced from PubChem (CID 119275160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).