1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea

C21H27N3O3 — CID 97436919

IUPAC1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
SMILESC[C@@H](CCN1CCOCC1)NC(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-17(10-11-24-12-14-26-15-13-24)22-21(25)23-18-6-5-9-20(16-18)27-19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3,(H2,22,23,25)/t17-/m0/s1
InChIKeyVSIOJWVOPRDYEE-KRWDZBQOSA-N
MW369.47 g/mol
LogP3.71
Rot. Bonds7

About 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea

1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea (PubChem CID 97436919) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
PubChem CID97436919
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
SMILESC[C@@H](CCN1CCOCC1)NC(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H27N3O3/c1-17(10-11-24-12-14-26-15-13-24)22-21(25)23-18-6-5-9-20(16-18)27-19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3,(H2,22,23,25)/t17-/m0/s1
InChIKeyVSIOJWVOPRDYEE-KRWDZBQOSA-N
XLogP3.71
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea?
The IUPAC name of 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea (CID 97436919) is 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea.
What is the SMILES notation for 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea?
The canonical SMILES for 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea is C[C@@H](CCN1CCOCC1)NC(=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea?
The InChIKey is VSIOJWVOPRDYEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-17(10-11-24-12-14-26-15-13-24)22-21(25)23-18-6-5-9-20(16-18)27-19-7-3-2-4-8-19/h2-9,16-17H,10-15H2,1H3,(H2,22,23,25)/t17-/m0/s1.
What are the key properties of 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea?
1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea has a molecular weight of 369.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea is sourced from PubChem (CID 97436919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).