1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea

C10H23N3O2 — CID 58817776

IUPAC1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCCCN(C)C
InChIInChI=1S/C10H23N3O2/c1-13(2)8-4-6-11-10(14)12-7-5-9-15-3/h4-9H2,1-3H3,(H2,11,12,14)
InChIKeyUHMPAGFJVQJFRW-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.27
Rot. Bonds8

About 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea

1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea (PubChem CID 58817776) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
PubChem CID58817776
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCCCN(C)C
InChIInChI=1S/C10H23N3O2/c1-13(2)8-4-6-11-10(14)12-7-5-9-15-3/h4-9H2,1-3H3,(H2,11,12,14)
InChIKeyUHMPAGFJVQJFRW-UHFFFAOYSA-N
XLogP0.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133090
2-[3-(dimethylamino)propylcarbamoylamino]-5-methoxypentanoic acid
CID 81085258
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
1-[3-(dimethylamino)propyl]-3-pentylurea
CID 108988347
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108988343
1-[3-(dimethylamino)propyl]-3-ethylurea;hydrate
CID 175591595
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
N-[3-(dimethylamino)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119827417
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
1-[3-(dimethylamino)propyl]-3-prop-2-ynylurea
CID 129322553
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea (CID 58817776) is 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)NCCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea?
The InChIKey is UHMPAGFJVQJFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-13(2)8-4-6-11-10(14)12-7-5-9-15-3/h4-9H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea?
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea has a molecular weight of 217.31 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 58817776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).