N-(1-methoxypropan-2-yl)morpholine-4-carboxamide

C9H18N2O3 — CID 2904482

IUPACN-(1-methoxypropan-2-yl)morpholine-4-carboxamide
SMILESCOCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-8(7-13-2)10-9(12)11-3-5-14-6-4-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyVKOOAPVUDVHUTD-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.06
Rot. Bonds3

About N-(1-methoxypropan-2-yl)morpholine-4-carboxamide

N-(1-methoxypropan-2-yl)morpholine-4-carboxamide (PubChem CID 2904482) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)morpholine-4-carboxamide
PubChem CID2904482
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(1-methoxypropan-2-yl)morpholine-4-carboxamide
SMILESCOCC(C)NC(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-8(7-13-2)10-9(12)11-3-5-14-6-4-11/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyVKOOAPVUDVHUTD-UHFFFAOYSA-N
XLogP0.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)morpholine-4-carboxamide (CID 2904482) is N-(1-methoxypropan-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)morpholine-4-carboxamide is COCC(C)NC(=O)N1CCOCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)morpholine-4-carboxamide?
The InChIKey is VKOOAPVUDVHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(7-13-2)10-9(12)11-3-5-14-6-4-11/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of N-(1-methoxypropan-2-yl)morpholine-4-carboxamide?
N-(1-methoxypropan-2-yl)morpholine-4-carboxamide has a molecular weight of 202.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 2904482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).