ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide

C14H23NO3 — CID 177356857

IUPACethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
SMILESCC.CC(=O)NC(C)Cc1ccccc1.O=CO
InChIInChI=1S/C11H15NO.C2H6.CH2O2/c1-9(12-10(2)13)8-11-6-4-3-5-7-11;1-2;2-1-3/h3-7,9H,8H2,1-2H3,(H,12,13);1-2H3;1H,(H,2,3)
InChIKeyACXVEJKBXJRSHS-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.48
Rot. Bonds3

About ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide

ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide (PubChem CID 177356857) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Nameethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
PubChem CID177356857
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
SMILESCC.CC(=O)NC(C)Cc1ccccc1.O=CO
InChIInChI=1S/C11H15NO.C2H6.CH2O2/c1-9(12-10(2)13)8-11-6-4-3-5-7-11;1-2;2-1-3/h3-7,9H,8H2,1-2H3,(H,12,13);1-2H3;1H,(H,2,3)
InChIKeyACXVEJKBXJRSHS-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
formic acid;2-methylpropylbenzene
CID 162001374
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide (CID 177356857) is ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide is CC.CC(=O)NC(C)Cc1ccccc1.O=CO.
What is the InChIKey of ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is ACXVEJKBXJRSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6.CH2O2/c1-9(12-10(2)13)8-11-6-4-3-5-7-11;1-2;2-1-3/h3-7,9H,8H2,1-2H3,(H,12,13);1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide?
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 253.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 177356857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).