3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide

C12H17N3O3 — CID 43700453

IUPAC3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c13-7-5-12(17)15-9-1-3-10(4-2-9)18-8-6-11(14)16/h1-4H,5-8,13H2,(H2,14,16)(H,15,17)
InChIKeyKXZRTZQZJRBUPH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.23
Rot. Bonds7

About 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide

3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide (PubChem CID 43700453) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
PubChem CID43700453
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C12H17N3O3/c13-7-5-12(17)15-9-1-3-10(4-2-9)18-8-6-11(14)16/h1-4H,5-8,13H2,(H2,14,16)(H,15,17)
InChIKeyKXZRTZQZJRBUPH-UHFFFAOYSA-N
XLogP0.23
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
CID 43707093
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
CID 119281562
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
CID 61329797
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide
CID 55841009
3-[4-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenoxy]propanamide
CID 55840369

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide (CID 43700453) is 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide is NCCC(=O)Nc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide?
The InChIKey is KXZRTZQZJRBUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-7-5-12(17)15-9-1-3-10(4-2-9)18-8-6-11(14)16/h1-4H,5-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide?
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide has a molecular weight of 251.29 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide is sourced from PubChem (CID 43700453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).