1-benzyl-3-(3-methoxypropyl)-1-methylurea

C13H20N2O2 — CID 108988118

IUPAC1-benzyl-3-(3-methoxypropyl)-1-methylurea
SMILESCOCCCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-15(11-12-7-4-3-5-8-12)13(16)14-9-6-10-17-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,14,16)
InChIKeyHYDLHUSVJXSNDW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.86
Rot. Bonds6

About 1-benzyl-3-(3-methoxypropyl)-1-methylurea

1-benzyl-3-(3-methoxypropyl)-1-methylurea (PubChem CID 108988118) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-benzyl-3-(3-methoxypropyl)-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-(3-methoxypropyl)-1-methylurea
PubChem CID108988118
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name1-benzyl-3-(3-methoxypropyl)-1-methylurea
SMILESCOCCCNC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-15(11-12-7-4-3-5-8-12)13(16)14-9-6-10-17-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,14,16)
InChIKeyHYDLHUSVJXSNDW-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-methoxypropylcarbamoyl(methyl)amino]methyl]benzoic acid
CID 61196142
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
1-benzyl-3-[4-(4-fluorophenoxy)butyl]-1-methylurea
CID 33403769
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
CID 53185077
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
1-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)-1-methylurea
CID 47127829
1-benzyl-1-methyl-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972527
1-benzyl-3-[2-(3-bromophenoxy)ethyl]-1-methylurea
CID 112971158

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methoxypropyl)-1-methylurea?
The IUPAC name of 1-benzyl-3-(3-methoxypropyl)-1-methylurea (CID 108988118) is 1-benzyl-3-(3-methoxypropyl)-1-methylurea.
What is the SMILES notation for 1-benzyl-3-(3-methoxypropyl)-1-methylurea?
The canonical SMILES for 1-benzyl-3-(3-methoxypropyl)-1-methylurea is COCCCNC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-methoxypropyl)-1-methylurea?
The InChIKey is HYDLHUSVJXSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(11-12-7-4-3-5-8-12)13(16)14-9-6-10-17-2/h3-5,7-8H,6,9-11H2,1-2H3,(H,14,16).
What are the key properties of 1-benzyl-3-(3-methoxypropyl)-1-methylurea?
1-benzyl-3-(3-methoxypropyl)-1-methylurea has a molecular weight of 236.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methoxypropyl)-1-methylurea is sourced from PubChem (CID 108988118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).