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

C15H23N3O3 — CID 79813998

IUPAC2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H23N3O3/c1-3-15(17,4-2)14(20)18-11-7-5-6-8-12(11)21-10-9-13(16)19/h5-8H,3-4,9-10,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyVWHUTICDCJQPGH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.40
Rot. Bonds8

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

2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide (PubChem CID 79813998) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
PubChem CID79813998
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H23N3O3/c1-3-15(17,4-2)14(20)18-11-7-5-6-8-12(11)21-10-9-13(16)19/h5-8H,3-4,9-10,17H2,1-2H3,(H2,16,19)(H,18,20)
InChIKeyVWHUTICDCJQPGH-UHFFFAOYSA-N
XLogP1.40
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide 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-methoxy-2-methylpropanamide
CID 103028884
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
3-[2-(heptan-4-ylamino)phenoxy]propanamide
CID 43729781
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 86999840
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide (CID 79813998) is 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide?
The InChIKey is VWHUTICDCJQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-15(17,4-2)14(20)18-11-7-5-6-8-12(11)21-10-9-13(16)19/h5-8H,3-4,9-10,17H2,1-2H3,(H2,16,19)(H,18,20).
What are the key properties of 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide?
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 79813998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).