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

C12H16N2O2 — CID 134045614

IUPACN-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)C(N)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-3-9-4-6-10(7-5-9)12(16)14-8(2)11(13)15/h4-8H,3H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJXAFJJYGAZVMCP-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.85
Rot. Bonds4

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

N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide (PubChem CID 134045614) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
PubChem CID134045614
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(C)C(N)=O)cc1
InChIInChI=1S/C12H16N2O2/c1-3-9-4-6-10(7-5-9)12(16)14-8(2)11(13)15/h4-8H,3H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyJXAFJJYGAZVMCP-UHFFFAOYSA-N
XLogP0.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
CID 122157402
dodecyl (2S)-2-[(4-ethylbenzoyl)amino]propanoate
CID 20836931
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
4-ethyl-N-(4-hydroxypentan-2-yl)benzamide
CID 113376576
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
(2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoate
CID 6968937
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
methyl (2S)-3-amino-2-[(4-ethylbenzoyl)amino]propanoate
CID 10586770
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
CID 141018684

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide (CID 134045614) is N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NC(C)C(N)=O)cc1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide?
The InChIKey is JXAFJJYGAZVMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-9-4-6-10(7-5-9)12(16)14-8(2)11(13)15/h4-8H,3H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide?
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide has a molecular weight of 220.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 134045614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).