N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide

C16H22N2O2 — CID 106297128

IUPACN-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
SMILESNCC1(NC(=O)C2(c3ccccc3)CC2)CCOCC1
InChIInChI=1S/C16H22N2O2/c17-12-15(8-10-20-11-9-15)18-14(19)16(6-7-16)13-4-2-1-3-5-13/h1-5H,6-12,17H2,(H,18,19)
InChIKeyRONFVRTWTNADRL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.34
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 106297128) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID106297128
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide
SMILESNCC1(NC(=O)C2(c3ccccc3)CC2)CCOCC1
InChIInChI=1S/C16H22N2O2/c17-12-15(8-10-20-11-9-15)18-14(19)16(6-7-16)13-4-2-1-3-5-13/h1-5H,6-12,17H2,(H,18,19)
InChIKeyRONFVRTWTNADRL-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide (CID 106297128) is N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide is NCC1(NC(=O)C2(c3ccccc3)CC2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is RONFVRTWTNADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-12-15(8-10-20-11-9-15)18-14(19)16(6-7-16)13-4-2-1-3-5-13/h1-5H,6-12,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 106297128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).