1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea

C12H23N3O3 — CID 110347785

IUPAC1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
SMILESCCN(CC)C(=O)N[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-4-14(5-2)12(17)13-10(3)11(16)15-6-8-18-9-7-15/h10H,4-9H2,1-3H3,(H,13,17)/t10-/m0/s1
InChIKeyNAKSIANGELDBHJ-JTQLQIEISA-N
MW257.33 g/mol
LogP0.29
Rot. Bonds4

About 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea

1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea (PubChem CID 110347785) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
PubChem CID110347785
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
SMILESCCN(CC)C(=O)N[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-4-14(5-2)12(17)13-10(3)11(16)15-6-8-18-9-7-15/h10H,4-9H2,1-3H3,(H,13,17)/t10-/m0/s1
InChIKeyNAKSIANGELDBHJ-JTQLQIEISA-N
XLogP0.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582
N,N-diethyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanamide
CID 115588983
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894
2-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 112684465
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110347737
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 113408370

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
The IUPAC name of 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea (CID 110347785) is 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
The canonical SMILES for 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea is CCN(CC)C(=O)N[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
The InChIKey is NAKSIANGELDBHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-14(5-2)12(17)13-10(3)11(16)15-6-8-18-9-7-15/h10H,4-9H2,1-3H3,(H,13,17)/t10-/m0/s1.
What are the key properties of 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea has a molecular weight of 257.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea is sourced from PubChem (CID 110347785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).