(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide

C11H22N2O2 — CID 140959044

IUPAC(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1COCCN1C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)12-11(14)10-7-15-6-5-13(10)9(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t10-/m0/s1
InChIKeyWCQQUIYJVXZFEI-JTQLQIEISA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds3

About (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide

(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide (PubChem CID 140959044) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
PubChem CID140959044
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1COCCN1C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)12-11(14)10-7-15-6-5-13(10)9(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t10-/m0/s1
InChIKeyWCQQUIYJVXZFEI-JTQLQIEISA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
4-(4-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106165
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105075
4-(5-hydrazinyl-5-oxopentan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105965
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
N-propan-2-yl-4-sulfamoylmorpholine-3-carboxamide
CID 112573894
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
CID 83103874
4-[4-(methylamino)oxolane-3-carbonyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098461
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099196
4-(2-cyclopentyl-2-oxoethyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104751052
potassium trifluoro-[[3-(propan-2-ylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104637

Frequently Asked Questions

What is the IUPAC name of (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide?
The IUPAC name of (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide (CID 140959044) is (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide is CC(C)NC(=O)[C@@H]1COCCN1C(C)C.
What is the InChIKey of (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide?
The InChIKey is WCQQUIYJVXZFEI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)12-11(14)10-7-15-6-5-13(10)9(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide?
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 140959044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).