4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide

C16H24N2O3 — CID 115439571

IUPAC4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC(CO)Cc2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O3/c17-12-16(6-8-21-9-7-16)15(20)18-14(11-19)10-13-4-2-1-3-5-13/h1-5,14,19H,6-12,17H2,(H,18,20)
InChIKeyVDFKUEBYTWPCFZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.46
Rot. Bonds6

About 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide (PubChem CID 115439571) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
PubChem CID115439571
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC(CO)Cc2ccccc2)CCOCC1
InChIInChI=1S/C16H24N2O3/c17-12-16(6-8-21-9-7-16)15(20)18-14(11-19)10-13-4-2-1-3-5-13/h1-5,14,19H,6-12,17H2,(H,18,20)
InChIKeyVDFKUEBYTWPCFZ-UHFFFAOYSA-N
XLogP0.46
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 115452993
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 113310101
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
CID 120935074
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 11682031
4-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66263893
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
2-N,2-N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-dihydroindene-2,2-dicarboxamide
CID 24746259

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide (CID 115439571) is 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide is NCC1(C(=O)NC(CO)Cc2ccccc2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide?
The InChIKey is VDFKUEBYTWPCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-12-16(6-8-21-9-7-16)15(20)18-14(11-19)10-13-4-2-1-3-5-13/h1-5,14,19H,6-12,17H2,(H,18,20).
What are the key properties of 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 115439571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).