4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide

C13H16N2O3 — CID 7931426

IUPAC4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-8(13(17)15-10-4-5-10)18-11-6-2-9(3-7-11)12(14)16/h2-3,6-8,10H,4-5H2,1H3,(H2,14,16)(H,15,17)/t8-/m1/s1
InChIKeyQSSVPQYOPQIQHE-MRVPVSSYSA-N
MW248.28 g/mol
LogP0.83
Rot. Bonds5

About 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide

4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 7931426) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID7931426
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)NC1CC1
InChIInChI=1S/C13H16N2O3/c1-8(13(17)15-10-4-5-10)18-11-6-2-9(3-7-11)12(14)16/h2-3,6-8,10H,4-5H2,1H3,(H2,14,16)(H,15,17)/t8-/m1/s1
InChIKeyQSSVPQYOPQIQHE-MRVPVSSYSA-N
XLogP0.83
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 4876666
2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 43116380

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide (CID 7931426) is 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide is C[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)NC1CC1.
What is the InChIKey of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is QSSVPQYOPQIQHE-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)15-10-4-5-10)18-11-6-2-9(3-7-11)12(14)16/h2-3,6-8,10H,4-5H2,1H3,(H2,14,16)(H,15,17)/t8-/m1/s1.
What are the key properties of 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide?
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 248.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 7931426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).