N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide

C16H18N2O3 — CID 118936303

IUPACN-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide
SMILESCOc1cnccc1-c1ccc(NC=O)c(OC(C)C)c1
InChIInChI=1S/C16H18N2O3/c1-11(2)21-15-8-12(4-5-14(15)18-10-19)13-6-7-17-9-16(13)20-3/h4-11H,1-3H3,(H,18,19)
InChIKeyOMUIAYYHDOLFHT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.11
Rot. Bonds6

About N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide

N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide (PubChem CID 118936303) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide.

Molecular Properties

Compound NameN-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide
PubChem CID118936303
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide
SMILESCOc1cnccc1-c1ccc(NC=O)c(OC(C)C)c1
InChIInChI=1S/C16H18N2O3/c1-11(2)21-15-8-12(4-5-14(15)18-10-19)13-6-7-17-9-16(13)20-3/h4-11H,1-3H3,(H,18,19)
InChIKeyOMUIAYYHDOLFHT-UHFFFAOYSA-N
XLogP3.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide?
The IUPAC name of N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide (CID 118936303) is N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide.
What is the SMILES notation for N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide?
The canonical SMILES for N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide is COc1cnccc1-c1ccc(NC=O)c(OC(C)C)c1.
What is the InChIKey of N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide?
The InChIKey is OMUIAYYHDOLFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)21-15-8-12(4-5-14(15)18-10-19)13-6-7-17-9-16(13)20-3/h4-11H,1-3H3,(H,18,19).
What are the key properties of N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide?
N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide has a molecular weight of 286.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxy-4-pyridinyl)-2-propan-2-yloxyphenyl]formamide is sourced from PubChem (CID 118936303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).