ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide

C15H23NO2 — CID 168983006

IUPACethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
SMILESCC.CC(C)C(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2.C2H6/c1-9(2)12(15)10(3)14-13(16)11-7-5-4-6-8-11;1-2/h4-10H,1-3H3,(H,14,16);1-2H3
InChIKeyDNIZWMRFMVZDPJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.06
Rot. Bonds4

About ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide

ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide (PubChem CID 168983006) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Nameethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
PubChem CID168983006
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
SMILESCC.CC(C)C(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2.C2H6/c1-9(2)12(15)10(3)14-13(16)11-7-5-4-6-8-11;1-2/h4-10H,1-3H3,(H,14,16);1-2H3
InChIKeyDNIZWMRFMVZDPJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
methyl (2S)-2-benzamidopropanoate
CID 6364617
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
CID 68891597
CID 68891597
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
2-[(2S)-2-benzamidopropanoyl]sulfanylpropanoic acid
CID 57080428
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide?
The IUPAC name of ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide (CID 168983006) is ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide.
What is the SMILES notation for ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide?
The canonical SMILES for ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide is CC.CC(C)C(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide?
The InChIKey is DNIZWMRFMVZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6/c1-9(2)12(15)10(3)14-13(16)11-7-5-4-6-8-11;1-2/h4-10H,1-3H3,(H,14,16);1-2H3.
What are the key properties of ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide?
ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide has a molecular weight of 249.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide is sourced from PubChem (CID 168983006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).