1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea

C13H27N3O2 — CID 110445097

IUPAC1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
SMILESCCN(CC)C(=O)NCCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-3-16(4-2)13(17)14-7-5-6-8-15-9-11-18-12-10-15/h3-12H2,1-2H3,(H,14,17)
InChIKeyCZEHTPVLMTTYRJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.15
Rot. Bonds7

About 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea

1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea (PubChem CID 110445097) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
PubChem CID110445097
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
SMILESCCN(CC)C(=O)NCCCCN1CCOCC1
InChIInChI=1S/C13H27N3O2/c1-3-16(4-2)13(17)14-7-5-6-8-15-9-11-18-12-10-15/h3-12H2,1-2H3,(H,14,17)
InChIKeyCZEHTPVLMTTYRJ-UHFFFAOYSA-N
XLogP1.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(diethylcarbamoylamino)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285196
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517535
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
2-[butan-2-yl(3-morpholin-4-ylpropylcarbamoyl)amino]acetic acid
CID 61195973
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
N,N-diethyl-3-morpholin-4-ylpropanamide
CID 102409015
2-methyl-1-(4-morpholin-4-ylbutyl)-3-propylguanidine
CID 111227293

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea?
The IUPAC name of 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea (CID 110445097) is 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea?
The canonical SMILES for 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea is CCN(CC)C(=O)NCCCCN1CCOCC1.
What is the InChIKey of 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea?
The InChIKey is CZEHTPVLMTTYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-16(4-2)13(17)14-7-5-6-8-15-9-11-18-12-10-15/h3-12H2,1-2H3,(H,14,17).
What are the key properties of 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea?
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea has a molecular weight of 257.38 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea is sourced from PubChem (CID 110445097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).