N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide

C15H22N2O2 — CID 107938515

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-9-19-11-15(18)17-14-5-3-12(4-6-14)10-16-13-7-8-13/h3-6,13,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyKIPHXNJURZCZFH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds8

About N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide

N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide (PubChem CID 107938515) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
PubChem CID107938515
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-9-19-11-15(18)17-14-5-3-12(4-6-14)10-16-13-7-8-13/h3-6,13,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyKIPHXNJURZCZFH-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide (CID 107938515) is N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide is CCCOCC(=O)Nc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide?
The InChIKey is KIPHXNJURZCZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-9-19-11-15(18)17-14-5-3-12(4-6-14)10-16-13-7-8-13/h3-6,13,16H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide?
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide is sourced from PubChem (CID 107938515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).