1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea

C16H31N3O2 — CID 95198370

IUPAC1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCC[C@H]1CN(C2CCCCCC2)CCO1
InChIInChI=1S/C16H31N3O2/c1-2-17-16(20)18-10-9-15-13-19(11-12-21-15)14-7-5-3-4-6-8-14/h14-15H,2-13H2,1H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyNOMGPORIPYXSQL-HNNXBMFYSA-N
MW297.44 g/mol
LogP2.12
Rot. Bonds5

About 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea

1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea (PubChem CID 95198370) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea
PubChem CID95198370
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCC[C@H]1CN(C2CCCCCC2)CCO1
InChIInChI=1S/C16H31N3O2/c1-2-17-16(20)18-10-9-15-13-19(11-12-21-15)14-7-5-3-4-6-8-14/h14-15H,2-13H2,1H3,(H2,17,18,20)/t15-/m0/s1
InChIKeyNOMGPORIPYXSQL-HNNXBMFYSA-N
XLogP2.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea?
The IUPAC name of 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea (CID 95198370) is 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea is CCNC(=O)NCC[C@H]1CN(C2CCCCCC2)CCO1.
What is the InChIKey of 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea?
The InChIKey is NOMGPORIPYXSQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-2-17-16(20)18-10-9-15-13-19(11-12-21-15)14-7-5-3-4-6-8-14/h14-15H,2-13H2,1H3,(H2,17,18,20)/t15-/m0/s1.
What are the key properties of 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea?
1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea has a molecular weight of 297.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-4-cycloheptylmorpholin-2-yl]ethyl]-3-ethylurea is sourced from PubChem (CID 95198370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).