1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea

C11H21N3O3 — CID 115620431

IUPAC1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O3/c1-8(2)12-11(16)13-9(3)10(15)14-4-6-17-7-5-14/h8-9H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyHBVRRPIMQMZNPJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.06
Rot. Bonds3

About 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea

1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea (PubChem CID 115620431) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
PubChem CID115620431
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O3/c1-8(2)12-11(16)13-9(3)10(15)14-4-6-17-7-5-14/h8-9H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyHBVRRPIMQMZNPJ-UHFFFAOYSA-N
XLogP-0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
1-cyclohexyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347766
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 110347737
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
1-[(2S)-2-morpholin-4-ylpropyl]-3-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352106
1-[(2R)-2-morpholin-4-ylpropyl]-3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]urea
CID 95352105
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea (CID 115620431) is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea is CC(C)NC(=O)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea?
The InChIKey is HBVRRPIMQMZNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(2)12-11(16)13-9(3)10(15)14-4-6-17-7-5-14/h8-9H,4-7H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea?
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea has a molecular weight of 243.31 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea is sourced from PubChem (CID 115620431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).