(tetradec-13-enylamino)carbamic acid

C15H30N2O2 — CID 145289573

IUPAC(tetradec-13-enylamino)carbamic acid
SMILESC=CCCCCCCCCCCCCNNC(=O)O
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17-15(18)19/h2,16-17H,1,3-14H2,(H,18,19)
InChIKeyUEZYOBJSGUUDDR-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.24
Rot. Bonds14

About (tetradec-13-enylamino)carbamic acid

(tetradec-13-enylamino)carbamic acid (PubChem CID 145289573) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (tetradec-13-enylamino)carbamic acid.

Molecular Properties

Compound Name(tetradec-13-enylamino)carbamic acid
PubChem CID145289573
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(tetradec-13-enylamino)carbamic acid
SMILESC=CCCCCCCCCCCCCNNC(=O)O
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17-15(18)19/h2,16-17H,1,3-14H2,(H,18,19)
InChIKeyUEZYOBJSGUUDDR-UHFFFAOYSA-N
XLogP4.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.24
H-Bond Donors ≤ 53
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

(hept-6-enylamino)carbamic acid
CID 90997429
tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
acetic acid;octadec-1-ene;zinc
CID 175392389
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2-(hept-6-enylamino)-3-methylbutanoic acid
CID 74955502
non-8-en-2-ylcarbamic acid
CID 175945835
3-(hept-6-enylamino)propanamide
CID 107006585
3-oxoundec-10-enoic acid
CID 126707830

Frequently Asked Questions

What is the IUPAC name of (tetradec-13-enylamino)carbamic acid?
The IUPAC name of (tetradec-13-enylamino)carbamic acid (CID 145289573) is (tetradec-13-enylamino)carbamic acid.
What is the SMILES notation for (tetradec-13-enylamino)carbamic acid?
The canonical SMILES for (tetradec-13-enylamino)carbamic acid is C=CCCCCCCCCCCCCNNC(=O)O.
What is the InChIKey of (tetradec-13-enylamino)carbamic acid?
The InChIKey is UEZYOBJSGUUDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-17-15(18)19/h2,16-17H,1,3-14H2,(H,18,19).
What are the key properties of (tetradec-13-enylamino)carbamic acid?
(tetradec-13-enylamino)carbamic acid has a molecular weight of 270.42 g/mol, XLogP of 4.24, 14 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tetradec-13-enylamino)carbamic acid is sourced from PubChem (CID 145289573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).