N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide

C16H16N2O3 — CID 141018684

IUPACN-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
SMILESCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C16H16N2O3/c1-11(15(17)19)18-16(20)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,19)(H,18,20)
InChIKeyMCIRHKOXIZAQAB-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.08
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide

N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide (PubChem CID 141018684) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
PubChem CID141018684
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
SMILESCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C16H16N2O3/c1-11(15(17)19)18-16(20)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,19)(H,18,20)
InChIKeyMCIRHKOXIZAQAB-UHFFFAOYSA-N
XLogP2.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
methyl (2S)-2-benzamidopropanoate
CID 6364617
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 56533555
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833356
N-[(2S,4S)-5-amino-1-(ethoxymethoxy)-4-methyl-5-oxopentan-2-yl]-4-phenoxybenzamide
CID 142214641
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide (CID 141018684) is N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide is CC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide?
The InChIKey is MCIRHKOXIZAQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(15(17)19)18-16(20)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide?
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide has a molecular weight of 284.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide is sourced from PubChem (CID 141018684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).