N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide

C19H34N2O3 — CID 56784532

IUPACN-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide
SMILESCCCC(NC(=O)C(C)NC(=O)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-3-7-17(15-8-5-4-6-9-15)21-18(22)14(2)20-19(23)16-10-12-24-13-11-16/h14-17H,3-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGVJZNWDOJFRXAI-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.78
Rot. Bonds7

About N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide

N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide (PubChem CID 56784532) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide
PubChem CID56784532
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC NameN-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide
SMILESCCCC(NC(=O)C(C)NC(=O)C1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H34N2O3/c1-3-7-17(15-8-5-4-6-9-15)21-18(22)14(2)20-19(23)16-10-12-24-13-11-16/h14-17H,3-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGVJZNWDOJFRXAI-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide (CID 56784532) is N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide is CCCC(NC(=O)C(C)NC(=O)C1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide?
The InChIKey is GVJZNWDOJFRXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-3-7-17(15-8-5-4-6-9-15)21-18(22)14(2)20-19(23)16-10-12-24-13-11-16/h14-17H,3-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide?
N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexylbutylamino)-1-oxopropan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 56784532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).