2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane

C17H34N2O2 — CID 177324466

IUPAC2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane
SMILESCC.CC(=O)NC(C)C(=O)Nc1ccc(C)cc1.CCC.[H][H].[H][H]
InChIInChI=1S/C12H16N2O2.C3H8.C2H6.2H2/c1-8-4-6-11(7-5-8)14-12(16)9(2)13-10(3)15;1-3-2;1-2;;/h4-7,9H,1-3H3,(H,13,15)(H,14,16);3H2,1-2H3;1-2H3;2*1H
InChIKeyGJVWZORRYYKFCL-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.39
Rot. Bonds3

About 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane

2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane (PubChem CID 177324466) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane.

Molecular Properties

Compound Name2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane
PubChem CID177324466
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane
SMILESCC.CC(=O)NC(C)C(=O)Nc1ccc(C)cc1.CCC.[H][H].[H][H]
InChIInChI=1S/C12H16N2O2.C3H8.C2H6.2H2/c1-8-4-6-11(7-5-8)14-12(16)9(2)13-10(3)15;1-3-2;1-2;;/h4-7,9H,1-3H3,(H,13,15)(H,14,16);3H2,1-2H3;1-2H3;2*1H
InChIKeyGJVWZORRYYKFCL-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
3-[4-(2-acetamidopropanoylamino)phenyl]butanoic acid
CID 104501839
2-acetamido-N-[4-(cyanomethyl)phenyl]propanamide
CID 134052820
2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
CID 60647573
N-(4-methylphenyl)acetamide
CID 7684
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-N-(4-methylphenyl)propanamide
CID 7447577
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443102
ethyl-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443104
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane?
The IUPAC name of 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane (CID 177324466) is 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane.
What is the SMILES notation for 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane?
The canonical SMILES for 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane is CC.CC(=O)NC(C)C(=O)Nc1ccc(C)cc1.CCC.[H][H].[H][H].
What is the InChIKey of 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane?
The InChIKey is GJVWZORRYYKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C3H8.C2H6.2H2/c1-8-4-6-11(7-5-8)14-12(16)9(2)13-10(3)15;1-3-2;1-2;;/h4-7,9H,1-3H3,(H,13,15)(H,14,16);3H2,1-2H3;1-2H3;2*1H.
What are the key properties of 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane?
2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane has a molecular weight of 298.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-methylphenyl)propanamide;ethane;molecular hydrogen;propane is sourced from PubChem (CID 177324466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).