1,2-diethyl-3-phenylbenzene;formamide

C17H21NO — CID 90113659

IUPAC1,2-diethyl-3-phenylbenzene;formamide
SMILESCCc1cccc(-c2ccccc2)c1CC.NC=O
InChIInChI=1S/C16H18.CH3NO/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14;2-1-3/h5-12H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyLDXACYGUNKCOKD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.58
Rot. Bonds3

About 1,2-diethyl-3-phenylbenzene;formamide

1,2-diethyl-3-phenylbenzene;formamide (PubChem CID 90113659) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1,2-diethyl-3-phenylbenzene;formamide.

Molecular Properties

Compound Name1,2-diethyl-3-phenylbenzene;formamide
PubChem CID90113659
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1,2-diethyl-3-phenylbenzene;formamide
SMILESCCc1cccc(-c2ccccc2)c1CC.NC=O
InChIInChI=1S/C16H18.CH3NO/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14;2-1-3/h5-12H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyLDXACYGUNKCOKD-UHFFFAOYSA-N
XLogP3.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-phenylbenzene;formamide?
The IUPAC name of 1,2-diethyl-3-phenylbenzene;formamide (CID 90113659) is 1,2-diethyl-3-phenylbenzene;formamide.
What is the SMILES notation for 1,2-diethyl-3-phenylbenzene;formamide?
The canonical SMILES for 1,2-diethyl-3-phenylbenzene;formamide is CCc1cccc(-c2ccccc2)c1CC.NC=O.
What is the InChIKey of 1,2-diethyl-3-phenylbenzene;formamide?
The InChIKey is LDXACYGUNKCOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.CH3NO/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14;2-1-3/h5-12H,3-4H2,1-2H3;1H,(H2,2,3).
What are the key properties of 1,2-diethyl-3-phenylbenzene;formamide?
1,2-diethyl-3-phenylbenzene;formamide has a molecular weight of 255.36 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-phenylbenzene;formamide is sourced from PubChem (CID 90113659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).