N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide

C18H21NO2 — CID 173255126

IUPACN-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide
SMILESCOc1ccc(N(C=O)C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)19(13-20)15-10-11-17(21-4)16(12-15)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyKVLPISRSBBXFPA-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.12
Rot. Bonds4

About N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide

N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide (PubChem CID 173255126) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide.

Molecular Properties

Compound NameN-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide
PubChem CID173255126
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide
SMILESCOc1ccc(N(C=O)C(C)(C)C)cc1-c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,3)19(13-20)15-10-11-17(21-4)16(12-15)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKeyKVLPISRSBBXFPA-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
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-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide?
The IUPAC name of N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide (CID 173255126) is N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide.
What is the SMILES notation for N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide?
The canonical SMILES for N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide is COc1ccc(N(C=O)C(C)(C)C)cc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide?
The InChIKey is KVLPISRSBBXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,3)19(13-20)15-10-11-17(21-4)16(12-15)14-8-6-5-7-9-14/h5-13H,1-4H3.
What are the key properties of N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide?
N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide has a molecular weight of 283.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-methoxy-3-phenylphenyl)formamide is sourced from PubChem (CID 173255126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).