(nonadec-10-en-2-ylideneamino)urea

C20H39N3O — CID 71326598

IUPAC(nonadec-10-en-2-ylideneamino)urea
SMILESCCCCCCCCC=CCCCCCCCC(C)=NNC(N)=O
InChIInChI=1S/C20H39N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)22-23-20(21)24/h10-11H,3-9,12-18H2,1-2H3,(H3,21,23,24)
InChIKeyADNYPVICSBOTCV-UHFFFAOYSA-N
MW337.55 g/mol
LogP6.07
Rot. Bonds16

About (nonadec-10-en-2-ylideneamino)urea

(nonadec-10-en-2-ylideneamino)urea (PubChem CID 71326598) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is (nonadec-10-en-2-ylideneamino)urea.

Molecular Properties

Compound Name(nonadec-10-en-2-ylideneamino)urea
PubChem CID71326598
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name(nonadec-10-en-2-ylideneamino)urea
SMILESCCCCCCCCC=CCCCCCCCC(C)=NNC(N)=O
InChIInChI=1S/C20H39N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)22-23-20(21)24/h10-11H,3-9,12-18H2,1-2H3,(H3,21,23,24)
InChIKeyADNYPVICSBOTCV-UHFFFAOYSA-N
XLogP6.07
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N,N'-bis(undecan-2-ylideneamino)oxamide
CID 3097994
(E)-icos-11-enamide
CID 5365373
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
N-(pentan-2-ylideneamino)undecanamide
CID 3423517

Frequently Asked Questions

What is the IUPAC name of (nonadec-10-en-2-ylideneamino)urea?
The IUPAC name of (nonadec-10-en-2-ylideneamino)urea (CID 71326598) is (nonadec-10-en-2-ylideneamino)urea.
What is the SMILES notation for (nonadec-10-en-2-ylideneamino)urea?
The canonical SMILES for (nonadec-10-en-2-ylideneamino)urea is CCCCCCCCC=CCCCCCCCC(C)=NNC(N)=O.
What is the InChIKey of (nonadec-10-en-2-ylideneamino)urea?
The InChIKey is ADNYPVICSBOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)22-23-20(21)24/h10-11H,3-9,12-18H2,1-2H3,(H3,21,23,24).
What are the key properties of (nonadec-10-en-2-ylideneamino)urea?
(nonadec-10-en-2-ylideneamino)urea has a molecular weight of 337.55 g/mol, XLogP of 6.07, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (nonadec-10-en-2-ylideneamino)urea is sourced from PubChem (CID 71326598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).