2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide

C14H21N3O3 — CID 43116458

IUPAC2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCC(N)c1ccccc1OC(C)C(=O)NC(=O)NC
InChIInChI=1S/C14H21N3O3/c1-4-11(15)10-7-5-6-8-12(10)20-9(2)13(18)17-14(19)16-3/h5-9,11H,4,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyCAPBJQNQUPTHLF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.32
Rot. Bonds5

About 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide

2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 43116458) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID43116458
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCCC(N)c1ccccc1OC(C)C(=O)NC(=O)NC
InChIInChI=1S/C14H21N3O3/c1-4-11(15)10-7-5-6-8-12(10)20-9(2)13(18)17-14(19)16-3/h5-9,11H,4,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyCAPBJQNQUPTHLF-UHFFFAOYSA-N
XLogP1.32
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1R)-1-aminopropyl]phenoxy]-N-methylpropanamide
CID 63366244
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667
(2R)-N-(methylcarbamoyl)-2-(2-phenylphenoxy)propanamide
CID 7986963
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide (CID 43116458) is 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide is CCC(N)c1ccccc1OC(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is CAPBJQNQUPTHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-11(15)10-7-5-6-8-12(10)20-9(2)13(18)17-14(19)16-3/h5-9,11H,4,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide?
2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminopropyl)phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43116458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).