4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide

C11H17N3O3 — CID 83099196

IUPAC4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)CC#N
InChIInChI=1S/C11H17N3O3/c1-8(2)13-11(16)9-7-17-6-5-14(9)10(15)3-4-12/h8-9H,3,5-7H2,1-2H3,(H,13,16)
InChIKeySBMPFWIDRCVCHN-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.35
Rot. Bonds3

About 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83099196) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83099196
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)CC#N
InChIInChI=1S/C11H17N3O3/c1-8(2)13-11(16)9-7-17-6-5-14(9)10(15)3-4-12/h8-9H,3,5-7H2,1-2H3,(H,13,16)
InChIKeySBMPFWIDRCVCHN-UHFFFAOYSA-N
XLogP-0.35
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(methylamino)propanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097073
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
N-propan-2-yl-4-[4-(propan-2-ylamino)butanoyl]morpholine-3-carboxamide
CID 83097068
ethyl 4-oxo-4-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]butanoate
CID 83098778
4-(3-chloro-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107155
4-[3-(ethylamino)-2-methylpropanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098665
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490
4-(2-piperidin-3-ylacetyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83099192
4-(azetidine-3-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098043
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83099196) is 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(=O)CC#N.
What is the InChIKey of 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is SBMPFWIDRCVCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)13-11(16)9-7-17-6-5-14(9)10(15)3-4-12/h8-9H,3,5-7H2,1-2H3,(H,13,16).
What are the key properties of 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoacetyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83099196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).