1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea

C19H40N2O3 — CID 130424651

IUPAC1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea
SMILESCCCCCCCCCCCCNC(=O)NC(C)COCCOC
InChIInChI=1S/C19H40N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-20-19(22)21-18(2)17-24-16-15-23-3/h18H,4-17H2,1-3H3,(H2,20,21,22)
InChIKeyZXKNGLXHHWKPLH-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.26
Rot. Bonds17

About 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea

1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea (PubChem CID 130424651) has the molecular formula C19H40N2O3 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea
PubChem CID130424651
Molecular FormulaC19H40N2O3
Molecular Weight344.54 g/mol
Exact Mass344.30
IUPAC Name1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea
SMILESCCCCCCCCCCCCNC(=O)NC(C)COCCOC
InChIInChI=1S/C19H40N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-20-19(22)21-18(2)17-24-16-15-23-3/h18H,4-17H2,1-3H3,(H2,20,21,22)
InChIKeyZXKNGLXHHWKPLH-UHFFFAOYSA-N
XLogP4.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.26
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

1-(1-hydroxypropan-2-yl)-3-octadecylurea
CID 130441437
3-methoxy-2-(pentylcarbamoylamino)propanoic acid
CID 81086094
1-hexyl-3-propan-2-ylurea
CID 23264656
2-(2-methoxyethoxy)ethyl 2-[6-[[1-[2-(2-methoxyethoxy)ethoxy]-1-oxopropan-2-yl]carbamoylamino]hexylcarbamoylamino]propanoate
CID 59345980
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
2-(heptylcarbamoylamino)-3-methylpentanoic acid
CID 3390588
1-[3-(2-methoxyethoxy)propyl]-3-(2-pentadecylheptadecyl)urea
CID 118244342
1-ethyl-3-[1-[2-(ethylcarbamoylamino)propoxy]propan-2-yl]urea
CID 158499294
methyl 2-(octylcarbamoylamino)pentanoate
CID 88893462
1-[(2S)-1-amino-3-ethoxypropan-2-yl]-3-tridecylurea
CID 167356495
2-(5-methoxypentylcarbamoylamino)pentanoic acid
CID 113363777
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea?
The IUPAC name of 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea (CID 130424651) is 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea.
What is the SMILES notation for 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea?
The canonical SMILES for 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea is CCCCCCCCCCCCNC(=O)NC(C)COCCOC.
What is the InChIKey of 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea?
The InChIKey is ZXKNGLXHHWKPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-20-19(22)21-18(2)17-24-16-15-23-3/h18H,4-17H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea?
1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea has a molecular weight of 344.54 g/mol, XLogP of 4.26, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-[1-(2-methoxyethoxy)propan-2-yl]urea is sourced from PubChem (CID 130424651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).