3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea

C13H28N2O2 — CID 60546714

IUPAC3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
SMILESCOCCCNC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)9-15(10-12(3)4)13(16)14-7-6-8-17-5/h11-12H,6-10H2,1-5H3,(H,14,16)
InChIKeyNEAZXTWGYUISQU-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.35
Rot. Bonds8

About 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea

3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea (PubChem CID 60546714) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
PubChem CID60546714
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
SMILESCOCCCNC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)9-15(10-12(3)4)13(16)14-7-6-8-17-5/h11-12H,6-10H2,1-5H3,(H,14,16)
InChIKeyNEAZXTWGYUISQU-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.35
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

1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218
1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
CID 115579212
(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 114007339
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108505035
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
(2S)-2-hydroxy-N-(3-methoxypropyl)-4-methylpentanamide
CID 118216551
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea (CID 60546714) is 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea is COCCCNC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea?
The InChIKey is NEAZXTWGYUISQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)9-15(10-12(3)4)13(16)14-7-6-8-17-5/h11-12H,6-10H2,1-5H3,(H,14,16).
What are the key properties of 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea?
3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea has a molecular weight of 244.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 60546714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).