2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide

C15H22N2O3 — CID 82064209

IUPAC2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC(C)CC)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-4-10(3)17-15(19)9-20-14-7-6-11(8-12(14)16)13(18)5-2/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyGPCLXJBVQXDYQP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.15
Rot. Bonds7

About 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide

2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide (PubChem CID 82064209) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide
PubChem CID82064209
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide
SMILESCCC(=O)c1ccc(OCC(=O)NC(C)CC)c(N)c1
InChIInChI=1S/C15H22N2O3/c1-4-10(3)17-15(19)9-20-14-7-6-11(8-12(14)16)13(18)5-2/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19)
InChIKeyGPCLXJBVQXDYQP-UHFFFAOYSA-N
XLogP2.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylphenoxy)-N-butan-2-ylacetamide
CID 61311273
2-(2-amino-4-propanoylphenoxy)-N-(2-methylpropyl)acetamide
CID 82064208
4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
2-(2-amino-4-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957008
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 62099667
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-4,5-dichlorobenzoate
CID 61320652
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide (CID 82064209) is 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide is CCC(=O)c1ccc(OCC(=O)NC(C)CC)c(N)c1.
What is the InChIKey of 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide?
The InChIKey is GPCLXJBVQXDYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-10(3)17-15(19)9-20-14-7-6-11(8-12(14)16)13(18)5-2/h6-8,10H,4-5,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide?
2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide has a molecular weight of 278.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-propanoylphenoxy)-N-butan-2-ylacetamide is sourced from PubChem (CID 82064209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).