[ethyl(undec-10-enoyl)amino]urea

C14H27N3O2 — CID 158018553

IUPAC[ethyl(undec-10-enoyl)amino]urea
SMILESC=CCCCCCCCCC(=O)N(CC)NC(N)=O
InChIInChI=1S/C14H27N3O2/c1-3-5-6-7-8-9-10-11-12-13(18)17(4-2)16-14(15)19/h3H,1,4-12H2,2H3,(H3,15,16,19)
InChIKeyWHGIRZAWRGWVLL-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.72
Rot. Bonds10

About [ethyl(undec-10-enoyl)amino]urea

[ethyl(undec-10-enoyl)amino]urea (PubChem CID 158018553) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [ethyl(undec-10-enoyl)amino]urea.

Molecular Properties

Compound Name[ethyl(undec-10-enoyl)amino]urea
PubChem CID158018553
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[ethyl(undec-10-enoyl)amino]urea
SMILESC=CCCCCCCCCC(=O)N(CC)NC(N)=O
InChIInChI=1S/C14H27N3O2/c1-3-5-6-7-8-9-10-11-12-13(18)17(4-2)16-14(15)19/h3H,1,4-12H2,2H3,(H3,15,16,19)
InChIKeyWHGIRZAWRGWVLL-UHFFFAOYSA-N
XLogP2.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nonadec-18-enamide
CID 166991988
deca-1,9-diene;ethyl carbamate
CID 158614970
ethyl 3-oxodec-9-enoate
CID 10036105
bis(dodecanamide);hex-1-ene
CID 159337008
ethyl hept-6-enoate
CID 560341
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
tricos-1-en-11-one
CID 146680996
pentadec-14-en-7-one
CID 11528685
tricosa-1,22-dien-12-one
CID 86210796
diethylalumanylium;undec-10-enoate
CID 21401828
indium(3+);octadec-1-ene;tris(tetradecanoate)
CID 175277283

Frequently Asked Questions

What is the IUPAC name of [ethyl(undec-10-enoyl)amino]urea?
The IUPAC name of [ethyl(undec-10-enoyl)amino]urea (CID 158018553) is [ethyl(undec-10-enoyl)amino]urea.
What is the SMILES notation for [ethyl(undec-10-enoyl)amino]urea?
The canonical SMILES for [ethyl(undec-10-enoyl)amino]urea is C=CCCCCCCCCC(=O)N(CC)NC(N)=O.
What is the InChIKey of [ethyl(undec-10-enoyl)amino]urea?
The InChIKey is WHGIRZAWRGWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-5-6-7-8-9-10-11-12-13(18)17(4-2)16-14(15)19/h3H,1,4-12H2,2H3,(H3,15,16,19).
What are the key properties of [ethyl(undec-10-enoyl)amino]urea?
[ethyl(undec-10-enoyl)amino]urea has a molecular weight of 269.39 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(undec-10-enoyl)amino]urea is sourced from PubChem (CID 158018553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).