3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide

C11H15N3O3 — CID 43707093

IUPAC3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C11H15N3O3/c12-6-5-11(16)14-8-1-3-9(4-2-8)17-7-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16)
InChIKeyBZWLZJVXBXZDHT-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.16
Rot. Bonds6

About 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide (PubChem CID 43707093) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
PubChem CID43707093
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide
SMILESNCCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C11H15N3O3/c12-6-5-11(16)14-8-1-3-9(4-2-8)17-7-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16)
InChIKeyBZWLZJVXBXZDHT-UHFFFAOYSA-N
XLogP-0.16
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide;hydrochloride
CID 119281562
7-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]heptanamide;hydrochloride
CID 119709277
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
CID 60849921
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 39860915
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide?
The IUPAC name of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide (CID 43707093) is 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide is NCCC(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide?
The InChIKey is BZWLZJVXBXZDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-6-5-11(16)14-8-1-3-9(4-2-8)17-7-10(13)15/h1-4H,5-7,12H2,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide?
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide has a molecular weight of 237.26 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]propanamide is sourced from PubChem (CID 43707093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).