1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea

C10H23N3O2 — CID 22381303

IUPAC1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
SMILESCCNC(=O)NCCCOCCCNC
InChIInChI=1S/C10H23N3O2/c1-3-12-10(14)13-7-5-9-15-8-4-6-11-2/h11H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyNGDGLKHTMHZKAH-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.32
Rot. Bonds9

About 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea

1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea (PubChem CID 22381303) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
PubChem CID22381303
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
SMILESCCNC(=O)NCCCOCCCNC
InChIInChI=1S/C10H23N3O2/c1-3-12-10(14)13-7-5-9-15-8-4-6-11-2/h11H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyNGDGLKHTMHZKAH-UHFFFAOYSA-N
XLogP0.32
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-3-ethylurea
CID 108890430
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1-(3-butoxypropyl)-3-(3-oxobutyl)urea
CID 108894998
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
1-(3-propoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 116657251
2-[[2-(3-propoxypropylcarbamoylamino)acetyl]amino]acetic acid
CID 82943515
N-methyl-3-propoxypropan-1-amine;molecular hydrogen
CID 156802558
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
3-(3-butoxypropylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 113481168
1-(3-propoxypropylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 82943619
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
The IUPAC name of 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea (CID 22381303) is 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea is CCNC(=O)NCCCOCCCNC.
What is the InChIKey of 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
The InChIKey is NGDGLKHTMHZKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-3-12-10(14)13-7-5-9-15-8-4-6-11-2/h11H,3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea?
1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea has a molecular weight of 217.31 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea is sourced from PubChem (CID 22381303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).