N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide

C16H26N2O3 — CID 119606391

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)16(3,11-17)18-15(19)9-10-21-14-8-6-5-7-13(14)20-4/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyTVBQKLIKAAKCRB-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.95
Rot. Bonds8

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide (PubChem CID 119606391) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide
PubChem CID119606391
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NC(C)(CN)C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)16(3,11-17)18-15(19)9-10-21-14-8-6-5-7-13(14)20-4/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeyTVBQKLIKAAKCRB-UHFFFAOYSA-N
XLogP1.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide 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-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,3-dimethylphenoxy)propanamide;hydrochloride
CID 119608882
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
CID 119605711
(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 92923984
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxybutanamide
CID 81487568
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
CID 119521510
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119607035
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide
CID 119607084
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 119606865
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide (CID 119606391) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide is COc1ccccc1OCCC(=O)NC(C)(CN)C(C)C.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide?
The InChIKey is TVBQKLIKAAKCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)16(3,11-17)18-15(19)9-10-21-14-8-6-5-7-13(14)20-4/h5-8,12H,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 119606391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).