1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide

C16H26N2O3 — CID 25386011

IUPAC1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCO[C@H](CC3CCCCC3)C2)CC1
InChIInChI=1S/C16H26N2O3/c17-14(19)16(6-7-16)15(20)18-8-9-21-13(11-18)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H2,17,19)/t13-/m1/s1
InChIKeyHBWKEZWCLYQSNL-CYBMUJFWSA-N
MW294.40 g/mol
LogP1.45
Rot. Bonds4

About 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide

1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide (PubChem CID 25386011) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
PubChem CID25386011
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CCO[C@H](CC3CCCCC3)C2)CC1
InChIInChI=1S/C16H26N2O3/c17-14(19)16(6-7-16)15(20)18-8-9-21-13(11-18)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H2,17,19)/t13-/m1/s1
InChIKeyHBWKEZWCLYQSNL-CYBMUJFWSA-N
XLogP1.45
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide (CID 25386011) is 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide is NC(=O)C1(C(=O)N2CCO[C@H](CC3CCCCC3)C2)CC1.
What is the InChIKey of 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is HBWKEZWCLYQSNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3/c17-14(19)16(6-7-16)15(20)18-8-9-21-13(11-18)10-12-4-2-1-3-5-12/h12-13H,1-11H2,(H2,17,19)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide?
1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 25386011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).