4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide

C10H20N2O3 — CID 104551857

IUPAC4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide
SMILESCC(CO)N(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-8(7-13)12(2)9(14)10(11)3-5-15-6-4-10/h8,13H,3-7,11H2,1-2H3
InChIKeyBWVCHQIPPCFAAL-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.67
Rot. Bonds3

About 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide

4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide (PubChem CID 104551857) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide
PubChem CID104551857
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide
SMILESCC(CO)N(C)C(=O)C1(N)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-8(7-13)12(2)9(14)10(11)3-5-15-6-4-10/h8,13H,3-7,11H2,1-2H3
InChIKeyBWVCHQIPPCFAAL-UHFFFAOYSA-N
XLogP-0.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-hydroxypropan-2-yl)-N-methyloxolane-3-carboxamide
CID 104551711
4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
CID 115293667
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
CID 115295136
4-amino-N-[1-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 115294203
4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide
CID 115293731
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
CID 113280683
4-amino-N-methoxy-N-methyloxane-4-carboxamide
CID 115294673
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
1-(4-aminooxan-4-yl)-2-methylpentan-1-one
CID 107890348
4-amino-N-(2-methoxyethyl)-N-propan-2-yloxane-4-carboxamide
CID 82948017
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide (CID 104551857) is 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide is CC(CO)N(C)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide?
The InChIKey is BWVCHQIPPCFAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(7-13)12(2)9(14)10(11)3-5-15-6-4-10/h8,13H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide?
4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 104551857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).