1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea

C13H28N4O2 — CID 18183021

IUPAC1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCN(C)CCCNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H28N4O2/c1-16(2)7-3-5-14-13(18)15-6-4-8-17-9-11-19-12-10-17/h3-12H2,1-2H3,(H2,14,15,18)
InChIKeyIGUPFZIYWMMDCW-UHFFFAOYSA-N
MW272.39 g/mol
LogP-0.04
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea

1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 18183021) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID18183021
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Name1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCN(C)CCCNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H28N4O2/c1-16(2)7-3-5-14-13(18)15-6-4-8-17-9-11-19-12-10-17/h3-12H2,1-2H3,(H2,14,15,18)
InChIKeyIGUPFZIYWMMDCW-UHFFFAOYSA-N
XLogP-0.04
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethylmorpholine-4-carboxamide
CID 824155
Mopyridone
CID 134102
1-Butyl-3-(2-morpholinoethyl)urea
CID 1632256
1-Ethyl-3-(2-morpholinoethyl)urea
CID 307328
N-(3-ethoxypropyl)morpholine-4-carboxamide
CID 2180707
N-(2-methoxyethyl)-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 72018405
N-[3-(diethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 172435170
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 172437142
N-tert-butylmorpholine-4-carboxamide
CID 2731524
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
1-Tert-butyl-3-(3-morpholin-4-ylpropyl)urea
CID 304916

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea (CID 18183021) is 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea is CN(C)CCCNC(=O)NCCCN1CCOCC1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is IGUPFZIYWMMDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-16(2)7-3-5-14-13(18)15-6-4-8-17-9-11-19-12-10-17/h3-12H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 272.39 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 18183021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).