N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide

C19H30N2O2S — CID 4561517

IUPACN-[(3-hydroxyphenyl)carbamothioyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(O)c1
InChIInChI=1S/C19H30N2O2S/c1-2-3-4-5-6-7-8-9-10-14-18(23)21-19(24)20-16-12-11-13-17(22)15-16/h11-13,15,22H,2-10,14H2,1H3,(H2,20,21,23,24)
InChIKeyAONWLIVDVJSNOJ-UHFFFAOYSA-N
MW350.53 g/mol
LogP5.13
Rot. Bonds11

About N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide

N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide (PubChem CID 4561517) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)carbamothioyl]dodecanamide
PubChem CID4561517
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[(3-hydroxyphenyl)carbamothioyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(=S)Nc1cccc(O)c1
InChIInChI=1S/C19H30N2O2S/c1-2-3-4-5-6-7-8-9-10-14-18(23)21-19(24)20-16-12-11-13-17(22)15-16/h11-13,15,22H,2-10,14H2,1H3,(H2,20,21,23,24)
InChIKeyAONWLIVDVJSNOJ-UHFFFAOYSA-N
XLogP5.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Hydroxyphenyl)-N'-phenylthiourea
CID 853760
Hexananilide, 3'-hydroxy-
CID 41576
(3-Hydroxyphenyl)thiourea
CID 2759330
N-[(3-hydroxyphenyl)carbamothioyl]adamantane-1-carboxamide
CID 4658353
2(1H)-Pyrimidinethione, 3,4-dihydro-1-(m-hydroxyphenyl)-4,4,6-trimethyl-
CID 762712
N-(3-Hydroxyphenyl)pentanamide
CID 99425
N-[(3-hydroxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 2420739
N-(3-hydroxyphenyl)-Arachidonoyl amide
CID 9930597
1-(3-Hydroxyphenyl)-3-octadecylurea
CID 306652
6-(3-Hydroxyanilino)-2,4-pyrimidinediol
CID 388645
1,3-Bis(3-hydroxyphenyl)thiourea
CID 3000727
N-(3-hydroxyphenyl)hexadecanamide
CID 10617672

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide?
The IUPAC name of N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide (CID 4561517) is N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide?
The canonical SMILES for N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide is CCCCCCCCCCCC(=O)NC(=S)Nc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide?
The InChIKey is AONWLIVDVJSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-2-3-4-5-6-7-8-9-10-14-18(23)21-19(24)20-16-12-11-13-17(22)15-16/h11-13,15,22H,2-10,14H2,1H3,(H2,20,21,23,24).
What are the key properties of N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide?
N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide has a molecular weight of 350.53 g/mol, XLogP of 5.13, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)carbamothioyl]dodecanamide is sourced from PubChem (CID 4561517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).