ethylbenzene;2-methyl-N-propan-2-ylpropanamide

C15H25NO — CID 139213515

IUPACethylbenzene;2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)C.CCc1ccccc1
InChIInChI=1S/C8H10.C7H15NO/c1-2-8-6-4-3-5-7-8;1-5(2)7(9)8-6(3)4/h3-7H,2H2,1H3;5-6H,1-4H3,(H,8,9)
InChIKeyDCRLFUXVDGHZLA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.42
Rot. Bonds3

About ethylbenzene;2-methyl-N-propan-2-ylpropanamide

ethylbenzene;2-methyl-N-propan-2-ylpropanamide (PubChem CID 139213515) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethylbenzene;2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Nameethylbenzene;2-methyl-N-propan-2-ylpropanamide
PubChem CID139213515
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethylbenzene;2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)C.CCc1ccccc1
InChIInChI=1S/C8H10.C7H15NO/c1-2-8-6-4-3-5-7-8;1-5(2)7(9)8-6(3)4/h3-7H,2H2,1H3;5-6H,1-4H3,(H,8,9)
InChIKeyDCRLFUXVDGHZLA-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
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carbonic acid;1,2-diethylbenzene
CID 89388803
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butane-2,3-dione;ethylbenzene
CID 174875574
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
(2R)-2-[benzyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645348
ethylcyclodecapentaene
CID 90861705

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of ethylbenzene;2-methyl-N-propan-2-ylpropanamide (CID 139213515) is ethylbenzene;2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for ethylbenzene;2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for ethylbenzene;2-methyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)C.CCc1ccccc1.
What is the InChIKey of ethylbenzene;2-methyl-N-propan-2-ylpropanamide?
The InChIKey is DCRLFUXVDGHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H15NO/c1-2-8-6-4-3-5-7-8;1-5(2)7(9)8-6(3)4/h3-7H,2H2,1H3;5-6H,1-4H3,(H,8,9).
What are the key properties of ethylbenzene;2-methyl-N-propan-2-ylpropanamide?
ethylbenzene;2-methyl-N-propan-2-ylpropanamide has a molecular weight of 235.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 139213515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).