N-(4-tert-butyl-3-formamidophenyl)formamide

C12H16N2O2 — CID 71620542

IUPACN-(4-tert-butyl-3-formamidophenyl)formamide
SMILESCC(C)(C)c1ccc(NC=O)cc1NC=O
InChIInChI=1S/C12H16N2O2/c1-12(2,3)10-5-4-9(13-7-15)6-11(10)14-8-16/h4-8H,1-3H3,(H,13,15)(H,14,16)
InChIKeyKFDALFXHGVDPGY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.12
Rot. Bonds4

About N-(4-tert-butyl-3-formamidophenyl)formamide

N-(4-tert-butyl-3-formamidophenyl)formamide (PubChem CID 71620542) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(4-tert-butyl-3-formamidophenyl)formamide.

Molecular Properties

Compound NameN-(4-tert-butyl-3-formamidophenyl)formamide
PubChem CID71620542
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(4-tert-butyl-3-formamidophenyl)formamide
SMILESCC(C)(C)c1ccc(NC=O)cc1NC=O
InChIInChI=1S/C12H16N2O2/c1-12(2,3)10-5-4-9(13-7-15)6-11(10)14-8-16/h4-8H,1-3H3,(H,13,15)(H,14,16)
InChIKeyKFDALFXHGVDPGY-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-3-formamidophenyl)formamide?
The IUPAC name of N-(4-tert-butyl-3-formamidophenyl)formamide (CID 71620542) is N-(4-tert-butyl-3-formamidophenyl)formamide.
What is the SMILES notation for N-(4-tert-butyl-3-formamidophenyl)formamide?
The canonical SMILES for N-(4-tert-butyl-3-formamidophenyl)formamide is CC(C)(C)c1ccc(NC=O)cc1NC=O.
What is the InChIKey of N-(4-tert-butyl-3-formamidophenyl)formamide?
The InChIKey is KFDALFXHGVDPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)10-5-4-9(13-7-15)6-11(10)14-8-16/h4-8H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-tert-butyl-3-formamidophenyl)formamide?
N-(4-tert-butyl-3-formamidophenyl)formamide has a molecular weight of 220.27 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-3-formamidophenyl)formamide is sourced from PubChem (CID 71620542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).