(4,4-diethoxy-3-methylpentyl)urea

C11H24N2O3 — CID 150757401

IUPAC(4,4-diethoxy-3-methylpentyl)urea
SMILESCCOC(C)(OCC)C(C)CCNC(N)=O
InChIInChI=1S/C11H24N2O3/c1-5-15-11(4,16-6-2)9(3)7-8-13-10(12)14/h9H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyJXDDEMHVWLFCFD-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.47
Rot. Bonds8

About (4,4-diethoxy-3-methylpentyl)urea

(4,4-diethoxy-3-methylpentyl)urea (PubChem CID 150757401) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4,4-diethoxy-3-methylpentyl)urea.

Molecular Properties

Compound Name(4,4-diethoxy-3-methylpentyl)urea
PubChem CID150757401
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(4,4-diethoxy-3-methylpentyl)urea
SMILESCCOC(C)(OCC)C(C)CCNC(N)=O
InChIInChI=1S/C11H24N2O3/c1-5-15-11(4,16-6-2)9(3)7-8-13-10(12)14/h9H,5-8H2,1-4H3,(H3,12,13,14)
InChIKeyJXDDEMHVWLFCFD-UHFFFAOYSA-N
XLogP1.47
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4,4,4-triethoxy-3-methylbutyl)urea
CID 150562365
(3-methyl-4,4,5-tripropoxyhex-5-enyl)urea
CID 138542776
N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
CID 143855257
4-methylhexylurea
CID 59582725
3-(1,1-diethoxypropylsilyl)propylurea
CID 175352143
ethyl (2R)-4-(2,2-dimethylpropanoylamino)-2-methylbutanoate
CID 143719664
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
2-propan-2-yloxyethylurea
CID 22179539
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
3-(dimethylamino)pentylurea
CID 87471098
ethyl 3,3-dimethyl-2-(3-methylbutylcarbamoyl)butanoate
CID 116537631
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708

Frequently Asked Questions

What is the IUPAC name of (4,4-diethoxy-3-methylpentyl)urea?
The IUPAC name of (4,4-diethoxy-3-methylpentyl)urea (CID 150757401) is (4,4-diethoxy-3-methylpentyl)urea.
What is the SMILES notation for (4,4-diethoxy-3-methylpentyl)urea?
The canonical SMILES for (4,4-diethoxy-3-methylpentyl)urea is CCOC(C)(OCC)C(C)CCNC(N)=O.
What is the InChIKey of (4,4-diethoxy-3-methylpentyl)urea?
The InChIKey is JXDDEMHVWLFCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-5-15-11(4,16-6-2)9(3)7-8-13-10(12)14/h9H,5-8H2,1-4H3,(H3,12,13,14).
What are the key properties of (4,4-diethoxy-3-methylpentyl)urea?
(4,4-diethoxy-3-methylpentyl)urea has a molecular weight of 232.32 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethoxy-3-methylpentyl)urea is sourced from PubChem (CID 150757401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).