N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide

C18H34N4O3 — CID 146342008

IUPACN-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)NC(=O)NC1CCCC(CC(C)NC(=O)N2CCOCC2)C1
InChIInChI=1S/C18H34N4O3/c1-13(2)19-17(23)21-16-6-4-5-15(12-16)11-14(3)20-18(24)22-7-9-25-10-8-22/h13-16H,4-12H2,1-3H3,(H,20,24)(H2,19,21,23)
InChIKeyMYPNGLIFGBYZBU-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.07
Rot. Bonds5

About N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide

N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide (PubChem CID 146342008) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide
PubChem CID146342008
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC NameN-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide
SMILESCC(C)NC(=O)NC1CCCC(CC(C)NC(=O)N2CCOCC2)C1
InChIInChI=1S/C18H34N4O3/c1-13(2)19-17(23)21-16-6-4-5-15(12-16)11-14(3)20-18(24)22-7-9-25-10-8-22/h13-16H,4-12H2,1-3H3,(H,20,24)(H2,19,21,23)
InChIKeyMYPNGLIFGBYZBU-UHFFFAOYSA-N
XLogP2.07
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide (CID 146342008) is N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide is CC(C)NC(=O)NC1CCCC(CC(C)NC(=O)N2CCOCC2)C1.
What is the InChIKey of N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide?
The InChIKey is MYPNGLIFGBYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-13(2)19-17(23)21-16-6-4-5-15(12-16)11-14(3)20-18(24)22-7-9-25-10-8-22/h13-16H,4-12H2,1-3H3,(H,20,24)(H2,19,21,23).
What are the key properties of N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide?
N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(propan-2-ylcarbamoylamino)cyclohexyl]propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 146342008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).