N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide

C12H15NO2 — CID 110477111

IUPACN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
SMILESCOc1ccc(C2(CNC=O)CC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-4-2-10(3-5-11)12(6-7-12)8-13-9-14/h2-5,9H,6-8H2,1H3,(H,13,14)
InChIKeyXCGGXUPNYXDRLC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.47
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide (PubChem CID 110477111) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
PubChem CID110477111
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
SMILESCOc1ccc(C2(CNC=O)CC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-11-4-2-10(3-5-11)12(6-7-12)8-13-9-14/h2-5,9H,6-8H2,1H3,(H,13,14)
InChIKeyXCGGXUPNYXDRLC-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 110440585
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide (CID 110477111) is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide is COc1ccc(C2(CNC=O)CC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide?
The InChIKey is XCGGXUPNYXDRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-11-4-2-10(3-5-11)12(6-7-12)8-13-9-14/h2-5,9H,6-8H2,1H3,(H,13,14).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide?
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide has a molecular weight of 205.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide is sourced from PubChem (CID 110477111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).