4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide

C17H24N2O2 — CID 120935074

IUPAC4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CC2Cc2ccccc2)CCOCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(6-8-21-9-7-17)16(20)19-15-11-14(15)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,18H2,(H,19,20)
InChIKeyYLHYKEASRKCQEI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.49
Rot. Bonds5

About 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide (PubChem CID 120935074) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
PubChem CID120935074
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CC2Cc2ccccc2)CCOCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(6-8-21-9-7-17)16(20)19-15-11-14(15)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,18H2,(H,19,20)
InChIKeyYLHYKEASRKCQEI-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-[2-(2,6-difluorophenyl)cyclopropyl]oxane-4-carboxamide;hydrochloride
CID 120933820
4-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]oxane-4-carboxamide
CID 120930074
4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
CID 115439571
4-(aminomethyl)-N-[2-(3-fluorophenyl)cyclopropyl]oxane-4-carboxamide
CID 120928202
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
4-(aminomethyl)-N-(2,2-dimethyl-3-phenylpropyl)oxane-4-carboxamide
CID 120933958
4-(aminomethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]oxane-4-carboxamide
CID 120929098
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide (CID 120935074) is 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide is NCC1(C(=O)NC2CC2Cc2ccccc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide?
The InChIKey is YLHYKEASRKCQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-12-17(6-8-21-9-7-17)16(20)19-15-11-14(15)10-13-4-2-1-3-5-13/h1-5,14-15H,6-12,18H2,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide is sourced from PubChem (CID 120935074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).