1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea

C15H29N3O2 — CID 47134040

IUPAC1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-13(2)17-14(19)16-12-15(6-4-3-5-7-15)18-8-10-20-11-9-18/h13H,3-12H2,1-2H3,(H2,16,17,19)
InChIKeyAMHVTPGXQCRIML-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.73
Rot. Bonds4

About 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea

1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea (PubChem CID 47134040) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea
PubChem CID47134040
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-13(2)17-14(19)16-12-15(6-4-3-5-7-15)18-8-10-20-11-9-18/h13H,3-12H2,1-2H3,(H2,16,17,19)
InChIKeyAMHVTPGXQCRIML-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea (CID 47134040) is 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea?
The InChIKey is AMHVTPGXQCRIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(2)17-14(19)16-12-15(6-4-3-5-7-15)18-8-10-20-11-9-18/h13H,3-12H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea?
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea has a molecular weight of 283.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 47134040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).