N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide

C16H22N2O2 — CID 18117448

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H22N2O2/c19-16(15-5-6-15)17-11-13-1-3-14(4-2-13)12-18-7-9-20-10-8-18/h1-4,15H,5-12H2,(H,17,19)
InChIKeyYEVOLZDTUXKMJE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.54
Rot. Bonds5

About N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 18117448) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID18117448
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)C1CC1
InChIInChI=1S/C16H22N2O2/c19-16(15-5-6-15)17-11-13-1-3-14(4-2-13)12-18-7-9-20-10-8-18/h1-4,15H,5-12H2,(H,17,19)
InChIKeyYEVOLZDTUXKMJE-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide (CID 18117448) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)C1CC1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is YEVOLZDTUXKMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(15-5-6-15)17-11-13-1-3-14(4-2-13)12-18-7-9-20-10-8-18/h1-4,15H,5-12H2,(H,17,19).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 18117448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).