1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea

C13H27N3O3 — CID 86830885

IUPAC1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(CO)CNC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-11(9-17)8-14-12(18)15-10-13(2,3)16-4-6-19-7-5-16/h11,17H,4-10H2,1-3H3,(H2,14,15,18)
InChIKeySBQMTWVSXQIPLD-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.02
Rot. Bonds6

About 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea

1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea (PubChem CID 86830885) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
PubChem CID86830885
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
SMILESCC(CO)CNC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-11(9-17)8-14-12(18)15-10-13(2,3)16-4-6-19-7-5-16/h11,17H,4-10H2,1-3H3,(H2,14,15,18)
InChIKeySBQMTWVSXQIPLD-UHFFFAOYSA-N
XLogP0.02
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
CID 78907145
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
CID 61250344

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea (CID 86830885) is 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea is CC(CO)CNC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
The InChIKey is SBQMTWVSXQIPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-11(9-17)8-14-12(18)15-10-13(2,3)16-4-6-19-7-5-16/h11,17H,4-10H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea?
1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea has a molecular weight of 273.38 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 86830885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).