N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide

C13H18N2O3 — CID 47239947

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H18N2O3/c1-9(2)13(17)15-10-5-3-4-6-11(10)18-8-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyBOVDTXTUTVUNGM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds6

About N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide (PubChem CID 47239947) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
PubChem CID47239947
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H18N2O3/c1-9(2)13(17)15-10-5-3-4-6-11(10)18-8-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyBOVDTXTUTVUNGM-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55882264
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
3-[2-(heptan-4-ylamino)phenoxy]propanamide
CID 43729781

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide (CID 47239947) is N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide?
The InChIKey is BOVDTXTUTVUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)13(17)15-10-5-3-4-6-11(10)18-8-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide has a molecular weight of 250.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide is sourced from PubChem (CID 47239947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).